 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Chair_STD_B3LYPDBJ-augccpVDZr.in
 Output=18_methylcyclopentanone_Chair_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/18_methylcyclopentanone_Chair_STD/Gau-10386.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/18_methylcyclopentanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10391.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Chair_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.561346000000      1.265532000000      0.172998000000
  C                                                 1.075011000000     -0.082384000000     -0.372450000000
  C                                                -0.949016000000      1.226539000000     -0.069358000000
  C                                                -1.318654000000     -0.252798000000      0.015396000000
  C                                                -0.029451000000     -1.065890000000      0.032823000000
  H                                                -1.198655000000      1.562128000000     -1.081455000000
  H                                                -1.551039000000      1.816556000000      0.620921000000
  O                                                -2.436471000000     -0.697326000000      0.059393000000
  H                                                -0.115613000000     -1.955716000000     -0.590107000000
  H                                                 0.122949000000     -1.406004000000      1.064587000000
  H                                                 1.054617000000      2.117373000000     -0.295556000000
  H                                                 0.767800000000      1.319480000000      1.246510000000
  C                                                 2.468129000000     -0.457422000000      0.107541000000
  H                                                 1.085579000000     -0.017304000000     -1.466677000000
  H                                                 2.491050000000     -0.538135000000      1.197571000000
  H                                                 3.202798000000      0.295018000000     -0.187539000000
  H                                                 2.788086000000     -1.416262000000     -0.305093000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457422    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538135    1.197571
     16          1           0        3.202798    0.295018   -0.187539
     17          1           0        2.788086   -1.416262   -0.305093
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.542155   0.000000
     3  C    1.530180   2.429368   0.000000
     4  C    2.421686   2.430864   1.527172   0.000000
     5  C    2.409195   1.533417   2.472099   1.524292   0.000000
     6  H    2.181565   2.894247   1.095116   2.124015   3.084661
     7  H    2.228549   3.389528   1.089512   2.168615   3.312036
     8  O    3.585056   3.590981   2.435232   1.203767   2.435219
     9  H    3.378911   2.230321   3.330539   2.171145   1.089613
    10  H    2.850303   2.173354   3.060265   2.123418   1.097014
    11  H    1.090180   2.201195   2.204381   3.368504   3.378787
    12  H    1.094514   2.163477   2.165087   2.888077   2.792604
    13  C    2.570735   1.520468   3.813646   3.793427   2.571716
    14  H    2.146863   1.096212   2.763914   2.834137   2.142738
    15  H    2.833147   2.162832   4.068567   3.999100   2.826321
    16  H    2.837103   2.168894   4.256672   4.559036   3.513981
    17  H    3.518375   2.172186   4.583219   4.280383   2.859277
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.756984   0.000000
     8  O    2.817597   2.723767   0.000000
     9  H    3.713439   4.213914   2.718782   0.000000
    10  H    3.893834   3.658411   2.839590   1.759860   0.000000
    11  H    2.450137   2.778464   4.498468   4.248088   3.890010
    12  H    3.056999   2.452644   3.967884   3.857524   2.806634
    13  C    4.351735   4.646315   4.910700   3.067136   2.704739
    14  H    2.803699   3.830517   3.898225   2.443088   3.043426
    15  H    4.818608   4.713340   5.059768   3.464105   2.525625
    16  H    4.666631   5.056447   5.731237   4.029853   3.734537
    17  H    5.036631   5.489683   5.286371   2.967105   2.996512
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.759791   0.000000
    13  C    2.964806   2.710304   0.000000
    14  H    2.435021   3.041276   2.140867   0.000000
    15  H    3.368158   2.534308   1.093254   3.056932   0.000000
    16  H    2.819100   3.005867   1.092235   2.493262   1.766142
    17  H    3.935935   3.738089   1.091794   2.490962   1.765598
                   16         17
    16  H    0.000000
    17  H    1.764733   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457421    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538134    1.197571
     16          1           0        3.202798    0.295019   -0.187539
     17          1           0        2.788086   -1.416261   -0.305093
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.4414929           1.9527670           1.5305717
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      9     10     11     12     14     15     16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 276 were deleted.
 There are   265 symmetry adapted cartesian basis functions of A   symmetry.
 There are   251 symmetry adapted basis functions of A   symmetry.
   251 basis functions,   449 primitive gaussians,   265 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       306.1006696928 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0250950854 Hartrees.
 Nuclear repulsion after empirical dispersion term =      306.0755746074 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:              34.7 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   251 RedAO= T EigKep=  1.09D-05  NBF=   251
 NBsUse=   251 1.00D-06 EigRej= -1.00D+00 NBFU=   251
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   265   265   265   265   265 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:               6.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:46 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737270897 LenY= 10737200231
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.947198070983    
 DIIS: error= 2.24D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.947198070983     IErMin= 1 ErrMin= 2.24D-03
 ErrMax= 2.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.25D-03 BMatP= 3.25D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.24D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.49D-02 MaxDP=1.16D+00              OVMax= 1.80D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.41D-02    CP:  1.20D+00
 E= -309.950212090533     Delta-E=       -0.003014019549 Rises=F Damp=F
 DIIS: error= 6.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.950212090533     IErMin= 2 ErrMin= 6.70D-04
 ErrMax= 6.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-04 BMatP= 3.25D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.70D-03
 Coeff-Com:  0.374D-01 0.963D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.371D-01 0.963D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.99D-04 MaxDP=3.35D-02 DE=-3.01D-03 OVMax= 8.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.23D-04    CP:  1.20D+00  1.03D+00
 E= -309.949952923691     Delta-E=        0.000259166842 Rises=F Damp=F
 DIIS: error= 1.23D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -309.950212090533     IErMin= 2 ErrMin= 6.70D-04
 ErrMax= 1.23D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-04 BMatP= 1.16D-04
 IDIUse=3 WtCom= 2.22D-01 WtEn= 7.78D-01
 Coeff-Com: -0.964D-02 0.672D+00 0.338D+00
 Coeff-En:   0.000D+00 0.746D+00 0.254D+00
 Coeff:     -0.214D-02 0.730D+00 0.272D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=8.56D-03 DE= 2.59D-04 OVMax= 5.06D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.34D-05    CP:  1.20D+00  1.03D+00  9.50D-01
 E= -309.950293942403     Delta-E=       -0.000341018713 Rises=F Damp=F
 DIIS: error= 1.85D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.950293942403     IErMin= 4 ErrMin= 1.85D-04
 ErrMax= 1.85D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-05 BMatP= 1.16D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.85D-03
 Coeff-Com: -0.459D-02 0.201D+00-0.323D-01 0.836D+00
 Coeff-En:   0.000D+00 0.847D-01 0.000D+00 0.915D+00
 Coeff:     -0.459D-02 0.201D+00-0.322D-01 0.836D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.22D-05 MaxDP=1.70D-03 DE=-3.41D-04 OVMax= 9.99D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.67D-05    CP:  1.20D+00  1.03D+00  9.77D-01  1.28D+00
 E= -309.950303391866     Delta-E=       -0.000009449462 Rises=F Damp=F
 DIIS: error= 2.34D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.950303391866     IErMin= 5 ErrMin= 2.34D-05
 ErrMax= 2.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.41D-07 BMatP= 1.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.950D-03 0.105D-01-0.592D-01 0.439D+00 0.610D+00
 Coeff:     -0.950D-03 0.105D-01-0.592D-01 0.439D+00 0.610D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.15D-05 MaxDP=6.38D-04 DE=-9.45D-06 OVMax= 1.07D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.27D-06    CP:  1.20D+00  1.03D+00  9.95D-01  1.30D+00  7.54D-01
 E= -309.950303745270     Delta-E=       -0.000000353404 Rises=F Damp=F
 DIIS: error= 2.32D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.950303745270     IErMin= 6 ErrMin= 2.32D-06
 ErrMax= 2.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-09 BMatP= 3.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-03-0.195D-02-0.183D-01 0.122D+00 0.193D+00 0.706D+00
 Coeff:     -0.193D-03-0.195D-02-0.183D-01 0.122D+00 0.193D+00 0.706D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.77D-06 MaxDP=1.03D-04 DE=-3.53D-07 OVMax= 1.53D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  8.92D-07    CP:  1.20D+00  1.03D+00  9.98D-01  1.31D+00  7.77D-01
                    CP:  1.02D+00
 E= -309.950303747911     Delta-E=       -0.000000002641 Rises=F Damp=F
 DIIS: error= 1.15D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.950303747911     IErMin= 7 ErrMin= 1.15D-06
 ErrMax= 1.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.29D-10 BMatP= 3.16D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.226D-04-0.179D-02-0.461D-02 0.269D-01 0.477D-01 0.353D+00
 Coeff-Com:  0.579D+00
 Coeff:     -0.226D-04-0.179D-02-0.461D-02 0.269D-01 0.477D-01 0.353D+00
 Coeff:      0.579D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=5.44D-07 MaxDP=2.83D-05 DE=-2.64D-09 OVMax= 5.94D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.19D-07    CP:  1.20D+00  1.03D+00  9.99D-01  1.31D+00  7.79D-01
                    CP:  1.04D+00  7.72D-01
 E= -309.950303748608     Delta-E=       -0.000000000697 Rises=F Damp=F
 DIIS: error= 1.94D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.950303748608     IErMin= 8 ErrMin= 1.94D-07
 ErrMax= 1.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-11 BMatP= 7.29D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.708D-05-0.334D-03 0.124D-03-0.186D-02-0.183D-02 0.475D-01
 Coeff-Com:  0.171D+00 0.786D+00
 Coeff:      0.708D-05-0.334D-03 0.124D-03-0.186D-02-0.183D-02 0.475D-01
 Coeff:      0.171D+00 0.786D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=8.10D-06 DE=-6.97D-10 OVMax= 9.91D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.01D-08    CP:  1.20D+00  1.03D+00  9.99D-01  1.31D+00  7.80D-01
                    CP:  1.05D+00  8.05D-01  9.45D-01
 E= -309.950303748621     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 5.09D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.950303748621     IErMin= 9 ErrMin= 5.09D-08
 ErrMax= 5.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-12 BMatP= 1.75D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.406D-05-0.974D-04 0.170D-03-0.144D-02-0.190D-02 0.109D-01
 Coeff-Com:  0.540D-01 0.321D+00 0.618D+00
 Coeff:      0.406D-05-0.974D-04 0.170D-03-0.144D-02-0.190D-02 0.109D-01
 Coeff:      0.540D-01 0.321D+00 0.618D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=2.11D-08 MaxDP=6.90D-07 DE=-1.27D-11 OVMax= 3.82D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.57D-08    CP:  1.20D+00  1.03D+00  9.99D-01  1.31D+00  7.80D-01
                    CP:  1.05D+00  8.08D-01  9.49D-01  9.11D-01
 E= -309.950303748620     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 1.65D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -309.950303748621     IErMin=10 ErrMin= 1.65D-08
 ErrMax= 1.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-13 BMatP= 1.42D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.962D-06-0.930D-05 0.621D-04-0.444D-03-0.651D-03 0.129D-03
 Coeff-Com:  0.665D-02 0.620D-01 0.264D+00 0.668D+00
 Coeff:      0.962D-06-0.930D-05 0.621D-04-0.444D-03-0.651D-03 0.129D-03
 Coeff:      0.665D-02 0.620D-01 0.264D+00 0.668D+00
 Gap=     0.218 Goal=   None    Shift=    0.000
 RMSDP=4.78D-09 MaxDP=1.56D-07 DE= 1.25D-12 OVMax= 8.19D-08

 SCF Done:  E(RB3LYP) =  -309.950303749     A.U. after   10 cycles
            NFock= 10  Conv=0.48D-08     -V/T= 2.0063
 KE= 3.080177598763D+02 PE=-1.332646224242D+03 EE= 4.086025860093D+02
 Leave Link  502 at Thu Jul  8 18:10:24 2021, MaxMem= 10737418240 cpu:             615.7 elap:              38.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   251
 NBasis=   251 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    251 NOA=    27 NOB=    27 NVA=   224 NVB=   224

 **** Warning!!: The largest alpha MO coefficient is  0.77855148D+02

 Leave Link  801 at Thu Jul  8 18:10:25 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5263 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.01D-13 8.33D-09 XBig12= 1.00D+00 3.79D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.01D-13 8.33D-09 XBig12= 2.74D-01 1.23D-01.
     11 vectors produced by pass  2 Test12= 1.01D-13 8.33D-09 XBig12= 2.81D-02 3.33D-02.
     11 vectors produced by pass  3 Test12= 1.01D-13 8.33D-09 XBig12= 1.47D-03 7.96D-03.
     11 vectors produced by pass  4 Test12= 1.01D-13 8.33D-09 XBig12= 4.81D-05 1.20D-03.
     11 vectors produced by pass  5 Test12= 1.01D-13 8.33D-09 XBig12= 8.63D-07 1.63D-04.
     11 vectors produced by pass  6 Test12= 1.01D-13 8.33D-09 XBig12= 1.45D-08 1.69D-05.
     11 vectors produced by pass  7 Test12= 1.01D-13 8.33D-09 XBig12= 1.13D-10 1.63D-06.
      8 vectors produced by pass  8 Test12= 1.01D-13 8.33D-09 XBig12= 5.85D-13 1.50D-07.
      1 vectors produced by pass  9 Test12= 1.01D-13 8.33D-09 XBig12= 3.61D-15 1.16D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension    97 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.897563D+02
      2 -0.136383D+00  0.778622D+02
      3  0.418424D+00 -0.550555D+00  0.625098D+02
 Isotropic polarizability for W=    0.093368       76.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.358439D+02 -0.210265D+02 -0.603727D+00
      2  -0.188989D+02  0.200227D+02 -0.477331D+01
      3  -0.169449D+02  0.100380D+01  0.537703D+01
      4  -0.937644D+01  0.273676D+02  0.204211D+01
      5   0.413368D+01  0.173425D+00  0.481079D+02
      6  -0.128767D+01 -0.347179D+01  0.104060D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.217980D+01 -0.900664D+00 -0.434667D+01
      2   0.410253D+00  0.434961D+00  0.216440D+02
      3   0.625781D+01 -0.129228D+02 -0.837427D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.186868D+01  0.130152D+01 -0.940215D+01
      2  -0.473741D+01  0.332978D+01  0.650528D+02
      3   0.116501D+02 -0.462665D+02 -0.146109D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.668404D+00 -0.306884D+00 -0.196794D+00
      2  -0.306884D+00 -0.676170D+00  0.167991D+00
      3  -0.196794D+00  0.167991D+00 -0.123769D+01
 OR G Eigenvalues:    -1.3093    -0.9782    -0.2947  Iso=     0.8608
 Eigenvectors:
   (1)   0.225777  -0.146120   0.963158
   (2)   0.686325   0.725518  -0.050816
   (3)   0.691363  -0.672512  -0.264091
 w=    0.093368 a.u., Optical Rotation Beta=      0.8608 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =      494.34 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   31626 ScalPx= 8.08D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.10D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.68D-14 2.78D-09 XBig12= 1.00D+00 5.10D-01.
     30 vectors produced by pass  1 Test12= 1.68D-14 2.78D-09 XBig12= 1.93D-02 5.65D-02.
     30 vectors produced by pass  2 Test12= 1.68D-14 2.78D-09 XBig12= 9.16D-04 3.44D-03.
     30 vectors produced by pass  3 Test12= 1.68D-14 2.78D-09 XBig12= 1.29D-05 7.07D-04.
     30 vectors produced by pass  4 Test12= 1.68D-14 2.78D-09 XBig12= 9.09D-08 3.71D-05.
     30 vectors produced by pass  5 Test12= 1.68D-14 2.78D-09 XBig12= 2.87D-10 1.35D-06.
     24 vectors produced by pass  6 Test12= 1.68D-14 2.78D-09 XBig12= 3.73D-13 5.75D-08.
      1 vectors produced by pass  7 Test12= 1.68D-14 2.78D-09 XBig12= 6.21D-16 2.96D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   205 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 3.41D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 3.41D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.42D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.897563D+02 -0.136383D+00  0.418424D+00
      2  -0.136383D+00  0.778622D+02 -0.550555D+00
      3   0.418424D+00 -0.550555D+00  0.625098D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.217980D+01 -0.900664D+00 -0.434667D+01
      2   0.410253D+00  0.434961D+00  0.216440D+02
      3   0.625781D+01 -0.129228D+02 -0.837427D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.358439D+02 -0.210265D+02 -0.603727D+00
      2  -0.188989D+02  0.200227D+02 -0.477331D+01
      3  -0.169449D+02  0.100380D+01  0.537703D+01
      4  -0.937644D+01  0.273676D+02  0.204211D+01
      5   0.413368D+01  0.173425D+00  0.481079D+02
      6  -0.128767D+01 -0.347179D+01  0.104060D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.279058D+01 -0.144832D+01  0.944470D+00 -0.191121D+00 -0.469159D+01
      2  -0.144832D+01 -0.331769D+01  0.784512D-01 -0.469159D+01 -0.708884D+00
      3   0.944470D+00  0.784512D-01 -0.182859D+01  0.254930D+00  0.241899D+01
                 6             7             8             9            10 
      1   0.254930D+00  0.186746D+01  0.579069D+00 -0.232175D+01 -0.143524D+01
      2   0.241899D+01  0.579069D+00  0.358376D+01 -0.115875D+01  0.271339D+01
      3  -0.479055D+00 -0.232175D+01 -0.115875D+01 -0.717203D+01 -0.120424D+01
                11            12            13            14            15 
      1   0.271339D+01 -0.120424D+01  0.249643D+01  0.317213D+01  0.335483D+00
      2   0.391932D+01  0.333785D+00  0.317213D+01 -0.313971D+01 -0.156321D+01
      3   0.333785D+00 -0.438591D-01  0.335483D+00 -0.156321D+01 -0.957549D+00
                16            17            18            19            20 
      1  -0.251077D+01  0.385056D+00  0.844963D+00 -0.138864D+01 -0.221622D+01
      2   0.385056D+00 -0.199955D+01 -0.101393D+01 -0.221622D+01  0.488000D+01
      3   0.844963D+00 -0.101393D+01  0.107598D+02 -0.114223D+01  0.560441D+00
                21            22            23            24            25 
      1  -0.114223D+01 -0.179558D+01  0.263327D+01  0.764958D+00 -0.128518D+01
      2   0.560441D+00  0.263327D+01  0.196276D+01 -0.763996D+00  0.175591D+01
      3   0.237292D+01  0.764958D+00 -0.763996D+00 -0.225323D+01  0.277624D+01
                26            27            28            29            30 
      1   0.175591D+01  0.277624D+01  0.414009D+01  0.592228D+01 -0.971860D-02
      2  -0.129001D+00 -0.340553D+01  0.592228D+01 -0.507518D+01 -0.275415D+00
      3  -0.340553D+01  0.377560D+01 -0.971860D-02 -0.275415D+00 -0.661664D+00
                31            32            33            34            35 
      1   0.370322D+01 -0.302580D-02 -0.527861D+00  0.849183D+00 -0.975870D+00
      2  -0.302580D-02 -0.410372D+01 -0.247704D+00 -0.975870D+00 -0.387751D+00
      3  -0.527861D+00 -0.247704D+00 -0.937384D-01 -0.176805D+00  0.966811D-01
                36            37            38            39            40 
      1  -0.176805D+00  0.687078D+00 -0.375569D+01  0.486744D-01 -0.288330D+01
      2   0.966811D-01 -0.375569D+01  0.190345D+01  0.548812D+00 -0.465501D+00
      3   0.214653D-01  0.486744D-01  0.548812D+00 -0.275920D+00  0.451077D+00
                41            42            43            44            45 
      1  -0.465501D+00  0.451077D+00 -0.100948D+01  0.144322D+01 -0.789676D+00
      2   0.594012D+01  0.170155D+01  0.144322D+01  0.267779D+01  0.364815D+01
      3   0.170155D+01  0.290909D+01 -0.789676D+00  0.364815D+01 -0.459553D+01
                46            47            48            49            50 
      1  -0.942796D+00  0.125060D+01 -0.138233D+01  0.762465D+00 -0.850567D+00
      2   0.125060D+01 -0.166931D+01  0.695578D+00 -0.850567D+00  0.214017D+01
      3  -0.138233D+01  0.695578D+00 -0.127450D+01  0.382958D+00 -0.163268D+01
                51            52            53            54            55 
      1   0.382958D+00 -0.231160D+01  0.707523D+00 -0.212661D+01 -0.405326D+01
      2  -0.163268D+01  0.707523D+00 -0.322335D+01  0.331977D+01  0.277921D+01
      3   0.184844D+01 -0.212661D+01  0.331977D+01 -0.655937D+01  0.174806D+01
                56            57            58            59            60 
      1   0.277921D+01  0.174806D+01  0.209734D+01 -0.218488D+01 -0.824595D+00
      2  -0.348136D+01 -0.110843D+01 -0.218488D+01  0.402408D+01  0.165610D+01
      3  -0.110843D+01 -0.151233D+01 -0.824595D+00  0.165610D+01  0.156172D+01
                61            62            63            64            65 
      1   0.284940D+01 -0.186863D+01 -0.199060D+01 -0.148352D+02 -0.478375D+01
      2  -0.186863D+01  0.279848D+01  0.258414D+01 -0.478375D+01 -0.745363D+00
      3  -0.199060D+01  0.258414D+01  0.220245D+01  0.410693D+00  0.884409D-02
                66            67            68            69            70 
      1   0.410693D+00 -0.333480D+01 -0.433170D+01  0.114917D+00 -0.127566D+00
      2   0.884409D-02 -0.433170D+01 -0.239087D+01  0.107075D+00  0.290517D+00
      3  -0.143898D+01  0.114917D+00  0.107075D+00 -0.620212D+00 -0.381730D+01
                71            72            73            74            75 
      1   0.290517D+00 -0.381730D+01 -0.227807D+00 -0.816966D+00 -0.710271D+00
      2   0.166599D+00 -0.146534D+01 -0.816966D+00 -0.125380D+01 -0.325399D+00
      3  -0.146534D+01  0.296676D+00 -0.710271D+00 -0.325399D+00 -0.712043D-01
                76            77            78            79            80 
      1  -0.145653D+01 -0.117925D+00 -0.657314D-01 -0.842378D+00 -0.300107D+00
      2  -0.117925D+00 -0.795127D+01 -0.245763D+01 -0.300107D+00 -0.419354D+01
      3  -0.657314D-01 -0.245763D+01 -0.198732D+01  0.194924D+00 -0.278609D+01
                81            82            83            84            85 
      1   0.194924D+00  0.891489D+00 -0.127111D+00  0.109373D+01 -0.128406D+00
      2  -0.278609D+01 -0.127111D+00 -0.390560D-02 -0.261684D+00  0.577682D+00
      3  -0.181159D+01  0.109373D+01 -0.261684D+00  0.843723D+00 -0.318253D+00
                86            87            88            89            90 
      1   0.577682D+00 -0.318253D+00  0.272009D+01 -0.577286D+00  0.843508D+00
      2  -0.252136D+01  0.156774D+01 -0.577286D+00  0.275135D+01 -0.320246D+01
      3   0.156774D+01 -0.161299D+01  0.843508D+00 -0.320246D+01  0.642632D+01
                91            92            93            94            95 
      1   0.269232D+01  0.266240D+01 -0.840554D+00  0.236449D+01  0.307800D+01
      2   0.266240D+01  0.347077D+01 -0.533048D+00  0.307800D+01  0.691797D+01
      3  -0.840554D+00 -0.533048D+00  0.889317D+00 -0.562062D+00 -0.156256D+01
                96            97            98            99           100 
      1  -0.562062D+00 -0.172915D+01 -0.119435D+01  0.117001D+01  0.384124D+00
      2  -0.156256D+01 -0.119435D+01 -0.287009D+01  0.171117D+01  0.354911D+00
      3   0.119831D+01  0.117001D+01  0.171117D+01 -0.538254D+00  0.121678D+01
               101           102           103           104           105 
      1   0.354911D+00  0.121678D+01  0.105310D+00  0.835886D+00  0.100830D+00
      2   0.662056D+00  0.407012D+00  0.835886D+00  0.777440D+00  0.856589D+00
      3   0.407012D+00  0.123288D+01  0.100830D+00  0.856589D+00  0.144168D+00
               106           107           108           109           110 
      1   0.211506D+01  0.928307D-01  0.170899D+01  0.387611D+00 -0.345680D+01
      2   0.928307D-01  0.153259D+01  0.199004D+01 -0.345680D+01 -0.373500D+01
      3   0.170899D+01  0.199004D+01  0.792454D+01  0.234472D+01 -0.200045D+00
               111           112           113           114           115 
      1   0.234472D+01 -0.399754D+01 -0.521612D+01 -0.174656D+00  0.304420D+01
      2  -0.200045D+00 -0.521612D+01  0.328891D+01  0.288139D+01 -0.406736D+00
      3  -0.360695D+00 -0.174656D+00  0.288139D+01  0.955603D+00 -0.155735D+01
               116           117           118           119           120 
      1  -0.406736D+00 -0.155735D+01  0.860529D+00 -0.293511D+00 -0.117967D+01
      2   0.288176D+01  0.124161D+01 -0.293511D+00 -0.230631D+00 -0.318153D-01
      3   0.124161D+01 -0.737433D+01 -0.117967D+01 -0.318153D-01  0.380135D+00
               121           122           123           124           125 
      1  -0.400497D+00 -0.231246D+00  0.589285D-02 -0.172891D+01 -0.248284D-01
      2  -0.231246D+00  0.448388D+00 -0.897957D+00 -0.248284D-01 -0.122352D+01
      3   0.589285D-02 -0.897957D+00  0.563099D+00  0.697132D+00  0.266967D+00
               126           127           128           129           130 
      1   0.697132D+00  0.144805D+00  0.195202D+00  0.725998D+00  0.188242D+00
      2   0.266967D+00  0.195202D+00  0.220050D+00  0.304180D-02  0.849880D+00
      3  -0.102316D+02  0.725998D+00  0.304180D-02  0.849458D-01 -0.905627D-01
               131           132           133           134           135 
      1   0.849880D+00 -0.905627D-01  0.253407D+01 -0.398703D+00  0.193979D+01
      2  -0.689202D+00  0.701650D+00 -0.398703D+00  0.115508D+01 -0.888842D+00
      3   0.701650D+00 -0.512035D+00  0.193979D+01 -0.888842D+00  0.797050D+01
               136           137           138           139           140 
      1   0.741647D+01  0.269278D+01 -0.118796D+01  0.572078D+01  0.317521D+01
      2   0.269278D+01  0.228160D+01 -0.469661D+00  0.317521D+01  0.279626D+01
      3  -0.118796D+01 -0.469661D+00  0.108259D+01 -0.595935D+00 -0.914672D+00
               141           142           143           144           145 
      1  -0.595935D+00 -0.242692D+01 -0.587073D+00  0.144651D+01  0.248787D+01
      2  -0.914672D+00 -0.587073D+00 -0.119623D+01  0.597593D+00 -0.167239D+01
      3   0.971772D+00  0.144651D+01  0.597593D+00 -0.346408D+00 -0.876147D+00
               146           147           148           149           150 
      1  -0.167239D+01 -0.876147D+00 -0.325050D+01  0.377051D+01  0.748611D+00
      2   0.217499D+01  0.569528D+00  0.377051D+01 -0.679109D+01 -0.185068D+01
      3   0.569528D+00  0.581235D+00  0.748611D+00 -0.185068D+01 -0.163607D+01
               151           152           153 
      1  -0.200751D+01  0.107945D+01  0.115802D+01
      2   0.107945D+01 -0.232438D+01 -0.153518D+01
      3   0.115802D+01 -0.153518D+01 -0.748197D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.243847D+01 -0.103549D+01  0.207162D+01  0.144360D+00 -0.590774D+01
      2   0.142308D+01  0.279564D+01  0.370359D+00  0.318695D+01  0.358204D+01
      3   0.119034D+02  0.148857D+00  0.143100D+01  0.707869D+01 -0.566146D+01
                 6             7             8             9            10 
      1  -0.915734D+00  0.142613D+01  0.626910D+01  0.865890D+01  0.106594D+01
      2  -0.860882D+00 -0.657883D+01 -0.308372D+01 -0.412134D+01 -0.457055D+01
      3  -0.144023D+01  0.130587D+01 -0.285940D+01 -0.255543D+01 -0.691853D+01
                11            12            13            14            15 
      1  -0.434500D+00 -0.363169D+00 -0.224559D+01  0.563518D+00 -0.218137D+01
      2   0.126835D+01  0.234157D+01  0.339178D-01 -0.163645D+01 -0.102074D+01
      3  -0.964999D+01 -0.185150D+00 -0.325482D+01  0.421777D+01  0.297436D+01
                16            17            18            19            20 
      1   0.972936D+00  0.456134D+01  0.902752D+00  0.508983D+01 -0.255761D+01
      2  -0.547415D+01  0.605781D+00  0.113355D+02  0.246611D+01 -0.220115D+01
      3  -0.119813D+01  0.312759D+01  0.161566D+01 -0.130396D+02  0.390793D+01
                21            22            23            24            25 
      1  -0.500415D+01 -0.196853D+01  0.254665D+01 -0.720605D+00 -0.200149D+01
      2  -0.232749D+01 -0.253511D+01  0.182626D+01  0.459137D+01 -0.721226D+01
      3  -0.181726D+01  0.716238D+01  0.511053D+01  0.958322D+00 -0.184608D+01
                26            27            28            29            30 
      1   0.109218D+02 -0.587350D+01 -0.674419D+01 -0.437022D+00  0.231756D+01
      2   0.651014D+01 -0.488920D+01 -0.218655D+01 -0.186173D+01 -0.812861D+01
      3   0.264081D+01 -0.705554D+00  0.697079D+01 -0.546799D+01  0.790247D-01
                31            32            33            34            35 
      1  -0.279860D+01 -0.493341D+00  0.347789D+01 -0.535340D+01  0.241571D+02
      2  -0.931502D+00 -0.762674D+00 -0.231974D+01 -0.157001D+02  0.448320D+01
      3   0.106840D+01 -0.298356D+01 -0.242467D+00 -0.509450D+00 -0.100610D+01
                36            37            38            39            40 
      1  -0.340993D+00  0.938129D+00  0.220722D+01  0.946715D+00  0.266120D+01
      2   0.653775D+00 -0.206953D+00  0.613078D+00  0.379624D+01  0.924896D-01
      3  -0.188075D+00 -0.394639D+01  0.376236D+01 -0.854417D-01  0.975777D+01
                41            42            43            44            45 
      1   0.739888D+01  0.235634D+01 -0.504580D+01  0.822817D+01 -0.669144D+01
      2   0.383518D+00 -0.201381D+01 -0.526357D+01 -0.520773D+00 -0.296140D+00
      3   0.604362D+01 -0.195931D+01  0.130331D+01 -0.368675D+01  0.187985D+01
                46            47            48            49            50 
      1   0.107423D+01 -0.279822D+01  0.308891D+01 -0.231094D+01  0.799263D+00
      2   0.176795D+01 -0.986904D+00  0.311734D+01 -0.526088D+00  0.192841D+01
      3   0.129258D+01 -0.149906D+01 -0.795029D+00  0.209164D+01  0.479858D+00
                51            52            53            54            55 
      1  -0.338490D+01  0.342802D+01 -0.580479D+01  0.113455D+02 -0.255647D+01
      2  -0.241280D+01  0.762164D+00 -0.566043D+01  0.932626D+01 -0.217986D+01
      3  -0.932017D+00 -0.311335D+01 -0.328689D+01  0.802373D+00 -0.253369D+01
                56            57            58            59            60 
      1   0.489580D+01  0.357401D+01  0.289985D+01 -0.343951D+01 -0.415010D+01
      2   0.283857D+01  0.385372D+01  0.129926D+01 -0.334689D+01 -0.307865D+01
      3  -0.292589D+01  0.999350D+00  0.325034D+01  0.112640D+01  0.222860D+00
                61            62            63            64            65 
      1   0.397934D+01 -0.440956D+01 -0.474856D+01  0.366371D+01 -0.221459D+00
      2   0.169524D+01 -0.446170D+01 -0.388844D+01  0.514029D+00  0.235845D+00
      3   0.299096D+01  0.183673D+01  0.201871D+00  0.109748D+01 -0.126907D+02
                66            67            68            69            70 
      1  -0.327126D+01  0.849940D+00  0.822580D+00 -0.341126D+01  0.196191D+01
      2   0.129446D+02  0.889580D+00  0.530827D+00  0.441907D+01  0.553158D+01
      3   0.265180D+00 -0.162182D+01 -0.685646D+01  0.310644D+00  0.143896D+01
                71            72            73            74            75 
      1  -0.543137D+01  0.556128D+00  0.899470D+00 -0.104261D+01 -0.409854D+00
      2  -0.509595D+00 -0.639502D+00  0.114720D+01 -0.574719D+00  0.640147D+00
      3   0.117692D+01 -0.869770D+00  0.556311D+00 -0.214890D+01  0.341631D+00
                76            77            78            79            80 
      1   0.177695D+01 -0.622266D+01 -0.583046D+01  0.882595D+00 -0.450248D+01
      2   0.137474D+00 -0.751801D+00  0.220419D+00 -0.159648D+01 -0.216357D+00
      3   0.471328D+01 -0.448881D+00  0.134134D+00  0.253510D+01  0.308518D+00
                81            82            83            84            85 
      1  -0.404700D+01 -0.485869D+00  0.181335D+00  0.316738D+00 -0.185728D+00
      2   0.299116D-01 -0.234666D+01  0.135869D+00  0.682302D+00  0.263179D-01
      3  -0.481749D+00 -0.166956D+01 -0.202880D+01 -0.500050D+00  0.119607D+01
                86            87            88            89            90 
      1   0.240528D+01 -0.415369D+01  0.416347D+01 -0.497871D+01  0.113250D+02
      2  -0.573160D-01  0.365964D+00 -0.176501D+01 -0.531951D+00 -0.398497D+00
      3  -0.944147D+00  0.712128D+00 -0.431519D+01  0.124246D+01 -0.174303D+01
                91            92            93            94            95 
      1   0.118848D+01  0.822031D+00 -0.230621D+01  0.109591D+01  0.261725D+01
      2  -0.114733D+01 -0.141865D+01  0.195586D+01 -0.115496D+01 -0.258283D+01
      3   0.321461D+01 -0.660061D+00 -0.922389D+00  0.486807D+01 -0.108862D+01
                96            97            98            99           100 
      1  -0.408135D+01 -0.157868D+01 -0.127475D+01  0.151782D+01 -0.128746D+01
      2   0.219865D+01  0.314896D+00  0.213097D+01 -0.139891D+01  0.668994D-02
      3   0.157572D+00 -0.281748D+01  0.143190D+01  0.606502D+00  0.638191D-01
               101           102           103           104           105 
      1   0.890892D+00 -0.192461D+01 -0.785919D-01 -0.929888D+00 -0.149772D+01
      2   0.148426D-01  0.164408D+01 -0.146929D+00 -0.229622D+00 -0.721713D-01
      3  -0.164272D+01  0.147106D+01  0.256456D+00  0.102755D+01 -0.283999D+00
               106           107           108           109           110 
      1  -0.265130D+01  0.628904D+00 -0.117199D+02 -0.485892D+00 -0.139949D+01
      2  -0.261080D+01  0.141829D+01  0.490509D+01  0.968340D+01 -0.412726D+00
      3   0.382347D+01 -0.163498D+01  0.161260D+01  0.107228D+02  0.117875D+02
               111           112           113           114           115 
      1  -0.268968D-01 -0.160095D+01  0.262896D+01 -0.885104D-01 -0.207966D+01
      2  -0.601320D+00 -0.128815D+00  0.906170D+01  0.249353D+01 -0.852567D+01
      3  -0.888214D+00  0.224677D+02 -0.783225D+01 -0.849395D+01 -0.282136D+00
               116           117           118           119           120 
      1   0.301899D+01 -0.349497D+01  0.107897D+00  0.371025D+00  0.347169D+00
      2   0.385748D+01 -0.189706D+02 -0.510714D+00 -0.530104D+00  0.133451D+01
      3  -0.861868D+01 -0.278973D+01  0.106324D+01 -0.477989D+00  0.198956D+00
               121           122           123           124           125 
      1   0.739857D+00 -0.674907D+00 -0.352531D+00 -0.217732D+00  0.361717D+01
      2   0.202710D+00 -0.128971D+01  0.454081D+00 -0.374382D+01  0.469864D+00
      3   0.239134D+01 -0.974984D+00  0.136469D+01 -0.123156D+00  0.191890D+01
               126           127           128           129           130 
      1  -0.103578D+01  0.585311D+00  0.196265D-01  0.280057D+00  0.541909D-01
      2  -0.109284D+02  0.214007D+01 -0.213928D+00  0.190326D+01 -0.929599D-01
      3  -0.458651D+00 -0.465989D+00 -0.150845D+01 -0.269523D+00 -0.109147D+01
               131           132           133           134           135 
      1   0.341159D-01 -0.109196D+01  0.764117D+00  0.300265D+01  0.426739D+01
      2   0.144292D+01 -0.164924D+01  0.952506D+00 -0.223566D+01  0.223379D+02
      3   0.126820D+01 -0.148331D+01 -0.486439D+00 -0.348531D+01  0.164998D+01
               136           137           138           139           140 
      1   0.157368D+00 -0.785787D-02 -0.659868D+00  0.178834D-01 -0.461442D+00
      2  -0.341928D+01 -0.170155D+01  0.508337D+01 -0.188373D+01 -0.288381D+01
      3  -0.111701D+02 -0.108716D+02  0.212045D+01 -0.945788D+01 -0.108333D+02
               141           142           143           144           145 
      1  -0.136393D+01  0.435233D+00  0.115256D+01  0.184454D+00 -0.772004D+00
      2   0.434639D+01  0.289811D+01  0.174919D+01 -0.114137D+01 -0.237190D+01
      3   0.312036D+01  0.245599D+01  0.425965D+01 -0.203419D+01  0.292727D+01
               146           147           148           149           150 
      1   0.546326D+00  0.102323D+01  0.740043D+00 -0.141146D+01 -0.386459D+01
      2   0.172372D+01  0.264457D+01  0.153139D+01 -0.521456D+01 -0.566143D+01
      3  -0.696456D+01 -0.116822D+01 -0.600024D+01  0.182810D+02  0.509062D+01
               151           152           153 
      1   0.845897D+00 -0.226153D+00 -0.108116D+01
      2   0.144028D+01 -0.393593D+01 -0.212641D+01
      3  -0.116225D+01  0.663465D+01  0.345733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.343411D+01  0.620027D+01  0.210828D+01  0.400938D+01 -0.439443D+01
      2  -0.283305D+01 -0.135824D+02  0.181199D+01 -0.123269D+02 -0.534680D+01
      3  -0.601054D+00  0.738214D+01 -0.392027D+01  0.831756D+01  0.974123D+01
      4  -0.968359D+00 -0.121264D+02  0.219647D+01 -0.117203D+02 -0.127818D+02
      5   0.308402D+01  0.377163D+01 -0.328041D+01  0.348496D+01  0.455464D+01
      6   0.403627D+01  0.200941D+01 -0.535420D+01  0.310197D+01  0.122057D+02
                 6             7             8             9            10 
      1  -0.324964D+01  0.313833D+01 -0.304094D+01  0.650540D+01 -0.152652D+02
      2   0.880740D+01  0.387043D+01  0.111621D+02  0.223808D+01  0.579769D+01
      3  -0.555776D+01 -0.700876D+01 -0.812118D+01 -0.874348D+01  0.946755D+01
      4   0.480540D+01  0.226273D+01  0.881281D+01 -0.104722D+02  0.868046D+01
      5  -0.200961D+01 -0.318777D+01 -0.538694D+01 -0.109920D+02 -0.831392D+01
      6  -0.128909D+01 -0.744048D+01 -0.469696D+01 -0.166482D+02 -0.156205D+00
                11            12            13            14            15 
      1   0.660166D+01 -0.415459D+01  0.111644D+02  0.119757D+02  0.187970D+01
      2  -0.494313D+00  0.231846D+01 -0.426107D+01 -0.546943D+01 -0.215233D+01
      3  -0.610734D+01  0.183613D+01 -0.690331D+01 -0.650632D+01  0.272628D+00
      4   0.165510D+01  0.163904D+01  0.964374D+01 -0.490321D+01 -0.212182D+01
      5   0.214578D+01 -0.226510D+01  0.105751D+01 -0.256474D+01 -0.163976D+01
      6  -0.566533D+00  0.115580D+01 -0.145698D+01 -0.718979D+00  0.802973D+00
                16            17            18            19            20 
      1  -0.101324D+02  0.229019D+01  0.879812D+01 -0.490813D+00 -0.405781D+01
      2   0.276094D+01 -0.318241D+01  0.976558D+01 -0.174890D+01  0.878860D+01
      3   0.737145D+01  0.892221D+00 -0.185637D+02  0.223971D+01 -0.473079D+01
      4   0.585787D+00 -0.357136D+01 -0.147222D+01  0.634502D+01 -0.160644D+02
      5   0.421408D+01 -0.142252D+01  0.255213D+02  0.312709D+01 -0.552505D+01
      6  -0.300926D+00  0.555436D+01 -0.597954D+00 -0.546499D+01  0.370296D+01
                21            22            23            24            25 
      1   0.239048D+01  0.416483D+01 -0.599862D+01 -0.112993D+01 -0.620043D-02
      2   0.264926D+01  0.451747D+00  0.121292D+02 -0.307024D+01  0.347605D+01
      3  -0.503974D+01 -0.461658D+01 -0.613061D+01  0.420017D+01 -0.346985D+01
      4  -0.404169D+01 -0.148423D+01  0.877301D+01  0.197454D+01 -0.621895D+01
      5  -0.785092D+01 -0.495892D+01  0.259010D+01  0.833592D+01 -0.812503D+01
      6   0.876974D+01  0.417441D+01 -0.471338D+01 -0.553769D+01  0.100733D+02
                26            27            28            29            30 
      1  -0.558636D+01  0.822281D+01 -0.448753D+02 -0.893618D+01 -0.121302D+00
      2  -0.326686D+01 -0.436425D+01  0.243075D+02 -0.420681D+00 -0.223160D+00
      3   0.885322D+01 -0.385856D+01  0.205678D+02  0.935686D+01  0.344462D+00
      4  -0.497673D+00  0.179369D+02 -0.266584D+02 -0.129197D+02  0.125785D+01
      5   0.130658D+02 -0.744616D+01  0.204878D+01  0.153938D+01 -0.116295D+02
      6  -0.168817D+02  0.130609D+02 -0.126936D+01 -0.740421D+00 -0.408284D+01
                31            32            33            34            35 
      1  -0.183407D+02 -0.654623D+00 -0.980168D-01  0.980642D+00  0.790050D+00
      2   0.118215D+02 -0.433264D+01 -0.362549D+00 -0.135036D+01  0.977986D+00
      3   0.651921D+01  0.498726D+01  0.460566D+00  0.369714D+00 -0.176804D+01
      4  -0.649385D+01  0.142645D+00  0.137629D+00  0.222126D+01  0.100787D+01
      5   0.210254D+01 -0.253194D+00 -0.341176D+01  0.348863D+01 -0.154941D+01
      6  -0.171963D+01  0.247429D+01 -0.303753D+01 -0.145632D+01  0.566507D+01
                36            37            38            39            40 
      1  -0.992114D+01  0.348438D+01  0.121311D+00  0.248709D+01 -0.125570D+02
      2  -0.162801D+01  0.185711D+01 -0.341502D+01 -0.251760D+01  0.601058D+01
      3   0.115491D+02 -0.534149D+01  0.329371D+01  0.305177D-01  0.654645D+01
      4  -0.382963D+01 -0.413160D+00  0.404937D+01 -0.441638D+00 -0.174441D+01
      5   0.187012D+01  0.308791D+00 -0.815074D+00  0.223619D+01 -0.250894D+00
      6  -0.981362D+00  0.183922D+01 -0.297685D+01  0.394608D+00 -0.149569D+01
                41            42            43            44            45 
      1   0.974704D+01  0.110731D+01  0.105477D+02 -0.131423D+01  0.150414D+02
      2  -0.117663D+02 -0.642042D+01 -0.513352D+01 -0.526096D+01 -0.927629D+01
      3   0.201927D+01  0.531312D+01 -0.541418D+01  0.657520D+01 -0.576507D+01
      4  -0.631194D+01 -0.136341D+01  0.290182D+01 -0.151569D+01  0.385049D+01
      5  -0.142715D+01 -0.174131D+01 -0.309526D+01  0.190192D+01 -0.429624D+01
      6  -0.122207D+02 -0.919515D+01  0.582656D+01 -0.168323D+02  0.116808D+02
                46            47            48            49            50 
      1   0.903980D+00  0.174792D+00  0.136335D+01  0.120276D+01 -0.770966D+01
      2  -0.114821D+01 -0.168558D+01 -0.189002D+01 -0.259769D+01  0.813884D+01
      3   0.244231D+00  0.151079D+01  0.526664D+00  0.139493D+01 -0.429179D+00
      4  -0.669623D+01  0.999355D+01 -0.566248D+01  0.523930D+01 -0.842753D+01
      5   0.612374D+01 -0.346528D+01  0.859185D+01 -0.101489D+01  0.423863D+01
      6  -0.484940D+01  0.348621D+01 -0.469267D+01  0.322587D+01 -0.795598D+01
                51            52            53            54            55 
      1   0.517852D+01  0.211345D+01  0.992055D+01 -0.129866D+02  0.838445D+01
      2  -0.446567D+01 -0.339965D+01 -0.559404D+01 -0.208966D+01  0.251261D+00
      3  -0.712853D+00  0.128619D+01 -0.432651D+01  0.150763D+02 -0.863571D+01
      4   0.534525D+01 -0.766921D+01  0.107322D+02 -0.137156D+02 -0.182410D+02
      5  -0.430740D+01  0.948618D+01 -0.100914D+02  0.181453D+02 -0.913951D+01
      6   0.104325D+02 -0.774311D+01  0.172992D+02 -0.240195D+02  0.717223D+01
                56            57            58            59            60 
      1  -0.912439D+00 -0.243483D+01  0.127265D+01 -0.772639D+01 -0.231760D+01
      2  -0.630884D+01 -0.221038D+00 -0.673079D+01  0.153542D+02  0.528784D+01
      3   0.722128D+01  0.265587D+01  0.545814D+01 -0.762782D+01 -0.297024D+01
      4   0.202706D+02  0.792842D+01  0.130805D+02 -0.177857D+02 -0.697683D+01
      5   0.625680D+01  0.834671D+01  0.431916D+01 -0.680974D+01 -0.565677D+01
      6  -0.656141D+01 -0.627188D+01 -0.538487D+01  0.948870D+01  0.886867D+01
                61            62            63            64            65 
      1  -0.251942D+01 -0.365441D+01 -0.442403D+01  0.908492D+02  0.172199D+02
      2  -0.596268D-01  0.706877D+01  0.224464D+01 -0.490949D+02 -0.438283D+01
      3   0.257905D+01 -0.341436D+01  0.217939D+01 -0.417544D+02 -0.128371D+02
      4   0.112435D+02 -0.116450D+02 -0.115300D+02  0.397707D+02  0.274173D+02
      5   0.962371D+01 -0.968402D+01 -0.934165D+01 -0.339471D+01 -0.120637D+01
      6  -0.820726D+01  0.135192D+02  0.100162D+02  0.154674D+01  0.543835D+00
                66            67            68            69            70 
      1  -0.142861D+01  0.181643D+02  0.112692D+02  0.170090D+00 -0.210675D+01
      2   0.131713D+01 -0.597037D+01  0.514764D+00 -0.328300D+00  0.224471D+01
      3   0.111488D+00 -0.121939D+02 -0.117840D+02  0.158210D+00 -0.137964D+00
      4  -0.585867D+00  0.295915D+02  0.209167D+02 -0.284532D+00 -0.671877D+00
      5   0.219126D+02 -0.107033D+01 -0.585399D+00  0.703556D+01  0.256531D+02
      6   0.569255D+01  0.715406D+00 -0.105271D+01  0.616036D+01  0.591368D+01
                71            72            73            74            75 
      1   0.254973D-01  0.131003D+02  0.550089D+00 -0.207970D+01 -0.842791D+00
      2  -0.853369D-01 -0.106021D+02  0.124944D+01  0.370210D+01  0.744001D+00
      3   0.598396D-01 -0.249825D+01 -0.179953D+01 -0.162241D+01  0.987897D-01
      4  -0.311298D+00  0.921680D+01  0.188611D+01  0.968704D+01  0.262415D+01
      5   0.766638D+01 -0.247115D+01  0.742265D+00  0.168478D+01  0.269099D+01
      6   0.724402D+01 -0.855367D-02  0.246033D+01  0.163017D+01  0.516736D+00
                76            77            78            79            80 
      1   0.203607D+01 -0.249097D+02 -0.757520D+01 -0.116270D+01 -0.105465D+02
      2  -0.836655D+00  0.355780D+02  0.983712D+01  0.724088D+00  0.120015D+02
      3  -0.119942D+01 -0.106682D+02 -0.226193D+01  0.438608D+00 -0.145502D+01
      4   0.564042D+01  0.184448D+01  0.953686D+00  0.352898D+01  0.126103D+01
      5   0.136238D+01  0.136180D+01  0.724570D+00  0.224120D+01  0.792342D+00
      6   0.211794D+00  0.164059D+02  0.115529D+02 -0.104079D+01  0.155640D+02
                81            82            83            84            85 
      1  -0.104102D+02 -0.539415D+00 -0.385113D+00 -0.670001D+00  0.257797D+01
      2   0.704115D+01 -0.132589D+01 -0.938796D-01  0.229182D+00 -0.254623D+01
      3   0.336903D+01  0.186531D+01  0.478992D+00  0.440819D+00 -0.317450D-01
      4   0.116419D+00 -0.295514D+01  0.380130D+01 -0.356540D+01  0.233022D+01
      5   0.117918D+01  0.729027D+00 -0.205312D+01  0.475811D+01 -0.781634D+00
      6   0.102643D+02 -0.319879D+01  0.744165D+00 -0.158590D+01  0.113177D+01
                86            87            88            89            90 
      1  -0.109930D+02  0.578966D+01 -0.309989D+01  0.115290D+02 -0.189249D+02
      2   0.105166D+02 -0.422602D+01  0.270883D+00 -0.632469D+01  0.163911D+01
      3   0.476433D+00 -0.156364D+01  0.282901D+01 -0.520434D+01  0.172858D+02
      4  -0.185753D+01  0.928139D+00 -0.557696D+01  0.124462D+01 -0.239484D+01
      5   0.100542D+01  0.674094D-02  0.439408D+01 -0.142185D+01  0.201142D+01
      6  -0.713588D+01  0.986818D+01 -0.448715D+01  0.154149D+02 -0.215357D+02
                91            92            93            94            95 
      1   0.141353D+01 -0.298610D+01 -0.466506D+00 -0.335702D+01 -0.153562D+02
      2   0.628046D+01  0.116545D+02 -0.162766D+01  0.113077D+02  0.330813D+02
      3  -0.769399D+01 -0.866845D+01  0.209417D+01 -0.795063D+01 -0.177251D+02
      4   0.136968D+02  0.176741D+02 -0.402251D+01  0.162434D+02  0.229442D+02
      5  -0.361003D+01 -0.254187D+01  0.361378D+01 -0.231028D+01 -0.422312D+01
      6  -0.397320D+01 -0.354908D+01  0.383198D+01 -0.345606D+01 -0.930223D+01
                96            97            98            99           100 
      1   0.320939D+01 -0.583701D+00  0.578707D+01 -0.450290D+01  0.312958D+00
      2  -0.674826D+01 -0.218775D+01 -0.104625D+02  0.394023D+01 -0.241309D+01
      3   0.353887D+01  0.277145D+01  0.467544D+01  0.562663D+00  0.210013D+01
      4  -0.507802D+01 -0.701501D+01 -0.904892D+01  0.640765D+01  0.267582D+01
      5   0.304347D+01  0.428228D+01  0.463801D+01 -0.288275D+01  0.410759D+01
      6   0.746592D+01  0.549887D+01  0.995724D+01 -0.506790D+01  0.306032D+01
               101           102           103           104           105 
      1  -0.937901D+00  0.421669D+00 -0.201393D+01 -0.331052D+01 -0.290386D+01
      2   0.217917D+01 -0.226104D+01  0.316926D+01  0.291461D+01  0.249135D+01
      3  -0.124127D+01  0.183937D+01 -0.115533D+01  0.395903D+00  0.412503D+00
      4   0.480837D+01  0.341000D+01  0.309806D+01  0.330905D+01  0.157795D+01
      5   0.129282D+01  0.786750D+01 -0.383228D+00  0.128955D+01 -0.116565D+00
      6   0.155306D+01  0.319258D+01  0.104469D+01  0.305012D+01  0.631944D+01
               106           107           108           109           110 
      1   0.370585D+00 -0.604420D+01 -0.153204D+02  0.100117D+01 -0.207623D+02
      2  -0.356519D+01  0.314407D+01 -0.785502D+01 -0.193831D+01  0.141650D+02
      3   0.319461D+01  0.290014D+01  0.231754D+02  0.937138D+00  0.659725D+01
      4   0.514104D+01  0.384506D+01  0.767690D+01 -0.221368D+02 -0.210128D+02
      5   0.694174D+01  0.377493D+01  0.130429D+02  0.179710D+02 -0.139518D+01
      6   0.577993D+01  0.990825D+01  0.230325D+02 -0.221927D+01  0.310609D+01
               111           112           113           114           115 
      1   0.123126D+02 -0.286403D+02 -0.209059D+02  0.214859D+01  0.167946D+02
      2  -0.483089D+01  0.203186D+02  0.301636D+01 -0.526318D+01 -0.417118D+01
      3  -0.748171D+01  0.832172D+01  0.178895D+02  0.311459D+01 -0.126234D+02
      4  -0.144671D+01 -0.311809D+02  0.183086D+02  0.162873D+02 -0.173324D+01
      5  -0.279948D+01 -0.120364D+01  0.175592D+02  0.451849D+01 -0.774834D+01
      6   0.332801D+00  0.394684D+01 -0.546961D+01 -0.247485D+01  0.192089D+01
               116           117           118           119           120 
      1   0.127885D+01  0.156891D+01  0.383495D+01 -0.115790D+01 -0.273213D+01
      2  -0.525854D+01  0.552092D+01 -0.565580D+01  0.430016D+00  0.135976D+01
      3   0.397970D+01 -0.708983D+01  0.182085D+01  0.727886D+00  0.137237D+01
      4   0.164296D+02  0.578808D+01 -0.110469D+01  0.191738D+01 -0.154877D+00
      5   0.610512D+01 -0.340295D+02 -0.239891D+01 -0.549294D+00  0.860972D+01
      6  -0.343486D+01  0.728897D+01 -0.242516D+00 -0.162657D+00 -0.379971D-01
               121           122           123           124           125 
      1  -0.512724D+00 -0.505912D+01  0.842298D+00 -0.408274D+01  0.136480D+01
      2  -0.125428D+00  0.722599D+00  0.616928D+00  0.475214D+01 -0.995957D-01
      3   0.638152D+00  0.433652D+01 -0.145923D+01 -0.669393D+00 -0.126521D+01
      4   0.169890D+01  0.107786D+01 -0.192124D+01  0.104134D+01 -0.219051D+01
      5  -0.563382D+00 -0.249783D+01  0.135163D+01  0.655775D+01  0.666058D+00
      6  -0.401768D+00 -0.401473D+00  0.819422D+01 -0.896059D-01  0.404407D+01
               126           127           128           129           130 
      1  -0.198602D+02  0.254571D+01  0.126357D+01  0.472058D+01  0.209855D+01
      2  -0.185300D+02 -0.321753D+01 -0.816116D+00 -0.314437D+01 -0.183259D+01
      3   0.383902D+02  0.671815D+00 -0.447453D+00 -0.157621D+01 -0.265968D+00
      4   0.140371D+01  0.106531D+01  0.308744D+01 -0.126211D+01  0.629411D+01
      5  -0.230546D+02  0.376575D+01 -0.651972D+00  0.700150D+01 -0.577505D+00
      6   0.930265D-01 -0.102850D+01 -0.693775D+00 -0.562726D+00  0.775914D+00
               131           132           133           134           135 
      1   0.108611D+01  0.601347D+00  0.112319D+02  0.125471D+00 -0.519395D+01
      2  -0.211414D+00 -0.179537D+00 -0.939839D+01  0.221123D+00 -0.135799D+02
      3  -0.874697D+00 -0.421810D+00 -0.183355D+01 -0.346594D+00  0.187739D+02
      4  -0.383421D+01  0.304600D+01 -0.373169D+01  0.608136D+01 -0.431586D+01
      5   0.284715D+01 -0.307436D+01  0.148458D+02 -0.469399D+01  0.420904D+02
      6  -0.118926D+01  0.566706D+01 -0.228414D+01  0.584996D+01 -0.960900D+01
               136           137           138           139           140 
      1   0.493866D+02  0.185927D+02 -0.784135D+01  0.318477D+02  0.155214D+02
      2  -0.259570D+02 -0.101774D+02  0.446465D+01 -0.161015D+02 -0.467505D+01
      3  -0.234295D+02 -0.841532D+01  0.337670D+01 -0.157462D+02 -0.108464D+02
      4   0.178414D+02  0.173171D+02 -0.316337D+01  0.225184D+02  0.190984D+02
      5  -0.886539D+01 -0.342788D+01  0.920878D+01 -0.494462D+01 -0.584022D+01
      6  -0.295488D+00 -0.104135D-01  0.172354D+00 -0.818267D+00 -0.382981D+00
               141           142           143           144           145 
      1  -0.378417D+01 -0.129972D+02 -0.320035D+01  0.594894D+01  0.147448D+02
      2   0.252467D+01  0.756373D+01  0.263312D+01 -0.535762D+01 -0.424841D+01
      3   0.125949D+01  0.543348D+01  0.567235D+00 -0.591320D+00 -0.104964D+02
      4  -0.581631D+01 -0.414836D+01 -0.721100D+01  0.401324D+01 -0.129242D+02
      5   0.750094D+01  0.117418D+02  0.464768D+01 -0.382798D+01 -0.586711D+01
      6   0.214126D+01  0.141363D+01  0.274148D+01 -0.195697D+01  0.258261D+01
               146           147           148           149           150 
      1  -0.814065D+01 -0.455403D+01 -0.130259D+02  0.551058D+01  0.498532D+00
      2   0.548541D+00  0.154240D+01  0.680194D-01  0.136514D+02  0.291713D+01
      3   0.759211D+01  0.301163D+01  0.129579D+02 -0.191620D+02 -0.341566D+01
      4   0.183068D+02  0.474016D+01  0.270015D+02 -0.406494D+02 -0.110753D+02
      5   0.438936D+01  0.549747D+01  0.573278D+01 -0.112451D+02 -0.105598D+02
      6  -0.151477D+01 -0.147091D+01 -0.317698D+01  0.636789D+01  0.657063D+01
               151           152           153 
      1  -0.876518D+01  0.642526D+00  0.685251D+00
      2   0.332375D+01  0.269328D+01 -0.780078D+00
      3   0.544144D+01 -0.333581D+01  0.948272D-01
      4   0.783888D+01 -0.134232D+02 -0.867975D+01
      5   0.844236D+01 -0.914446D+01 -0.510005D+01
      6  -0.351348D+01  0.694625D+01  0.443787D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:17:31 2021, MaxMem= 10737418240 cpu:            6804.8 elap:             425.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14053 -10.27475 -10.20051 -10.19352 -10.19234
 Alpha  occ. eigenvalues --  -10.19165 -10.18441  -1.05300  -0.85641  -0.75716
 Alpha  occ. eigenvalues --   -0.72176  -0.65947  -0.58216  -0.53972  -0.50212
 Alpha  occ. eigenvalues --   -0.47002  -0.44690  -0.43665  -0.42162  -0.41533
 Alpha  occ. eigenvalues --   -0.39086  -0.38361  -0.35848  -0.34625  -0.34094
 Alpha  occ. eigenvalues --   -0.33486  -0.24814
 Alpha virt. eigenvalues --   -0.03020  -0.01473   0.00173   0.00378   0.00849
 Alpha virt. eigenvalues --    0.02812   0.03057   0.03274   0.03771   0.04143
 Alpha virt. eigenvalues --    0.05996   0.06821   0.07063   0.08232   0.08751
 Alpha virt. eigenvalues --    0.09194   0.09420   0.09737   0.10001   0.10313
 Alpha virt. eigenvalues --    0.10654   0.11551   0.11707   0.12408   0.12737
 Alpha virt. eigenvalues --    0.13453   0.13803   0.14120   0.14324   0.14374
 Alpha virt. eigenvalues --    0.15215   0.16661   0.17592   0.18172   0.18580
 Alpha virt. eigenvalues --    0.19931   0.20175   0.21177   0.21585   0.22436
 Alpha virt. eigenvalues --    0.22989   0.24625   0.24864   0.26032   0.26541
 Alpha virt. eigenvalues --    0.27011   0.27572   0.28780   0.29141   0.29726
 Alpha virt. eigenvalues --    0.30929   0.31543   0.33162   0.33591   0.34328
 Alpha virt. eigenvalues --    0.34740   0.35071   0.35525   0.36238   0.36716
 Alpha virt. eigenvalues --    0.37519   0.37643   0.38504   0.39505   0.39785
 Alpha virt. eigenvalues --    0.40050   0.41643   0.42443   0.43067   0.43450
 Alpha virt. eigenvalues --    0.44853   0.45055   0.46677   0.48184   0.48834
 Alpha virt. eigenvalues --    0.49513   0.49850   0.51234   0.51379   0.51853
 Alpha virt. eigenvalues --    0.52924   0.54256   0.54600   0.55953   0.56774
 Alpha virt. eigenvalues --    0.58102   0.59238   0.60186   0.61351   0.62183
 Alpha virt. eigenvalues --    0.62753   0.63752   0.64187   0.65305   0.65545
 Alpha virt. eigenvalues --    0.66984   0.67462   0.68595   0.69648   0.70275
 Alpha virt. eigenvalues --    0.70715   0.70995   0.73558   0.73902   0.74990
 Alpha virt. eigenvalues --    0.75116   0.76687   0.77087   0.77736   0.79575
 Alpha virt. eigenvalues --    0.81437   0.83539   0.84460   0.85122   0.85704
 Alpha virt. eigenvalues --    0.87389   0.89617   0.91432   0.92135   0.92923
 Alpha virt. eigenvalues --    0.96298   0.97505   1.00772   1.03751   1.06278
 Alpha virt. eigenvalues --    1.06438   1.08216   1.09319   1.10741   1.13545
 Alpha virt. eigenvalues --    1.14926   1.15755   1.18586   1.19853   1.21719
 Alpha virt. eigenvalues --    1.22886   1.24686   1.26547   1.28329   1.33125
 Alpha virt. eigenvalues --    1.37249   1.39546   1.40185   1.43877   1.44664
 Alpha virt. eigenvalues --    1.47202   1.48273   1.52159   1.53604   1.56405
 Alpha virt. eigenvalues --    1.57449   1.58195   1.59084   1.60116   1.63346
 Alpha virt. eigenvalues --    1.63997   1.65312   1.68339   1.69655   1.71648
 Alpha virt. eigenvalues --    1.74029   1.76133   1.77225   1.77745   1.80272
 Alpha virt. eigenvalues --    1.81720   1.83147   1.84328   1.84796   1.86555
 Alpha virt. eigenvalues --    1.88325   1.90375   1.93288   1.94495   1.98935
 Alpha virt. eigenvalues --    1.99189   2.00414   2.02964   2.04323   2.05013
 Alpha virt. eigenvalues --    2.06545   2.08698   2.11465   2.13147   2.16591
 Alpha virt. eigenvalues --    2.17089   2.19898   2.20233   2.22255   2.25466
 Alpha virt. eigenvalues --    2.28210   2.28852   2.32921   2.34487   2.39607
 Alpha virt. eigenvalues --    2.40827   2.42886   2.44708   2.46761   2.48870
 Alpha virt. eigenvalues --    2.52131   2.54849   2.56451   2.57571   2.59205
 Alpha virt. eigenvalues --    2.60567   2.65737   2.71378   2.73433   2.81423
 Alpha virt. eigenvalues --    2.81949   2.83312   2.89986   2.95126   2.99240
 Alpha virt. eigenvalues --    3.00860   3.07655   3.34758   3.42488   3.43252
 Alpha virt. eigenvalues --    3.47967   3.58838   3.72052   3.84353
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.458353  -0.655908  -0.027347   0.038963  -0.629261   0.200235
     2  C   -0.655908   8.372108  -0.192108   0.062744  -0.317547  -0.039225
     3  C   -0.027347  -0.192108   5.785909  -0.254985  -0.085169  -0.171793
     4  C    0.038963   0.062744  -0.254985   6.783315  -0.628806  -0.001711
     5  C   -0.629261  -0.317547  -0.085169  -0.628806   6.632753  -0.034944
     6  H    0.200235  -0.039225  -0.171793  -0.001711  -0.034944   1.717580
     7  H    0.069141   0.010418  -0.278065   0.057701   0.102464  -0.302920
     8  O   -0.023446  -0.030382   0.005078   0.081662   0.053700   0.008628
     9  H    0.135482   0.132908   0.029537   0.040128  -0.536840  -0.003371
    10  H   -0.104879   0.002322   0.052939  -0.085456   0.064285  -0.006249
    11  H   -0.848382   0.323345   0.280525  -0.081210   0.171153  -0.240732
    12  H   -0.164415  -0.131525  -0.027531  -0.026993  -0.017689   0.142548
    13  C   -0.051866   0.015018   0.038640  -0.047884  -0.136080   0.022483
    14  H    0.283229  -1.637040   0.007438  -0.085959   0.346448   0.040882
    15  H   -0.012430  -0.437676   0.014354   0.020063   0.005947   0.002688
    16  H    0.032255   0.305040   0.014077  -0.010418  -0.069652  -0.000170
    17  H   -0.048800   0.340690  -0.019577   0.030725  -0.026970  -0.000903
               7          8          9         10         11         12
     1  C    0.069141  -0.023446   0.135482  -0.104879  -0.848382  -0.164415
     2  C    0.010418  -0.030382   0.132908   0.002322   0.323345  -0.131525
     3  C   -0.278065   0.005078   0.029537   0.052939   0.280525  -0.027531
     4  C    0.057701   0.081662   0.040128  -0.085456  -0.081210  -0.026993
     5  C    0.102464   0.053700  -0.536840   0.064285   0.171153  -0.017689
     6  H   -0.302920   0.008628  -0.003371  -0.006249  -0.240732   0.142548
     7  H    1.901893  -0.000377   0.002739   0.001835   0.022249  -0.205991
     8  O   -0.000377   8.460438  -0.015131   0.018925   0.006637  -0.001925
     9  H    0.002739  -0.015131   2.094217  -0.303128   0.002873   0.007896
    10  H    0.001835   0.018925  -0.303128   1.696503   0.011635   0.028154
    11  H    0.022249   0.006637   0.002873   0.011635   2.465396  -0.457408
    12  H   -0.205991  -0.001925   0.007896   0.028154  -0.457408   2.403818
    13  C   -0.004764   0.006170   0.062716  -0.151963   0.012299  -0.146296
    14  H   -0.003880   0.004561  -0.188146   0.118557  -0.159629   0.128136
    15  H   -0.002955  -0.000211  -0.003409  -0.006950   0.003121  -0.011072
    16  H    0.000812  -0.000087   0.007513  -0.002080  -0.020192  -0.028248
    17  H    0.000891  -0.000851  -0.011953  -0.025999   0.004188   0.002824
              13         14         15         16         17
     1  C   -0.051866   0.283229  -0.012430   0.032255  -0.048800
     2  C    0.015018  -1.637040  -0.437676   0.305040   0.340690
     3  C    0.038640   0.007438   0.014354   0.014077  -0.019577
     4  C   -0.047884  -0.085959   0.020063  -0.010418   0.030725
     5  C   -0.136080   0.346448   0.005947  -0.069652  -0.026970
     6  H    0.022483   0.040882   0.002688  -0.000170  -0.000903
     7  H   -0.004764  -0.003880  -0.002955   0.000812   0.000891
     8  O    0.006170   0.004561  -0.000211  -0.000087  -0.000851
     9  H    0.062716  -0.188146  -0.003409   0.007513  -0.011953
    10  H   -0.151963   0.118557  -0.006950  -0.002080  -0.025999
    11  H    0.012299  -0.159629   0.003121  -0.020192   0.004188
    12  H   -0.146296   0.128136  -0.011072  -0.028248   0.002824
    13  C    4.823668  -0.100778   0.525102  -0.029817  -0.046961
    14  H   -0.100778   2.944255   0.092587  -0.078680  -0.054087
    15  H    0.525102   0.092587   1.839868  -0.374479  -0.389204
    16  H   -0.029817  -0.078680  -0.374479   1.952514  -0.443180
    17  H   -0.046961  -0.054087  -0.389204  -0.443180   1.959093
 Mulliken charges:
               1
     1  C    1.349075
     2  C   -0.123182
     3  C    0.828079
     4  C    0.108122
     5  C    1.106207
     6  H   -0.333025
     7  H   -0.371191
     8  O   -0.573390
     9  H   -0.454031
    10  H   -0.308448
    11  H   -0.495870
    12  H   -0.494284
    13  C    1.210312
    14  H   -0.657894
    15  H   -0.265344
    16  H   -0.255207
    17  H   -0.269927
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.358920
     2  C   -0.781076
     3  C    0.123863
     4  C    0.108122
     5  C    0.343728
     8  O   -0.573390
    13  C    0.419833
 Electronic spatial extent (au):  <R**2>=            819.5819
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.0615    Y=              1.1701    Z=             -0.2087  Tot=              3.2841
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.9633   YY=            -43.5229   ZZ=            -42.2971
   XY=             -3.7114   XZ=              0.0738   YZ=              0.0185
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.3689   YY=              3.0715   ZZ=              4.2973
   XY=             -3.7114   XZ=              0.0738   YZ=              0.0185
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.1148  YYY=             -1.4373  ZZZ=              0.3333  XYY=             -0.3445
  XXY=              9.6028  XXZ=             -1.5615  XZZ=             -3.7709  YZZ=             -0.5662
  YYZ=             -1.4046  XYZ=             -0.6961
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -801.4192 YYYY=           -297.6270 ZZZZ=            -87.9423 XXXY=            -15.0652
 XXXZ=             -2.8771 YYYX=              0.0998 YYYZ=              1.5586 ZZZX=              0.7613
 ZZZY=             -1.2780 XXYY=           -173.7077 XXZZ=           -132.7508 YYZZ=            -62.1826
 XXYZ=              1.1125 YYXZ=             -2.4509 ZZXY=              0.4147
 N-N= 3.060755746074D+02 E-N=-1.332646229435D+03  KE= 3.080177598763D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:17:32 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.16987960D+00 4.47327229D-01-7.97472953D-02
 Polarizability= 8.20998665D+01-1.97653910D-01 7.14869907D+01
                 2.18277203D-01-4.09231922D-01 5.84645547D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2087   -0.2092       -0.0684   -0.0682
 2      0.2087    0.2092        0.2755    0.2753       -5.9458   -5.9471
 3      0.0684    0.0682       13.6214   13.6233       -0.2754   -0.2753
 4     -0.2755   -0.2753        0.0000    0.0000        0.0688    0.0682
 5     -7.6756   -7.6762       -0.0688   -0.0682       -0.2104   -0.2092
 6      0.2754    0.2753        0.2104    0.2092       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.6276    0.6276       -0.2046   -0.2046
 2     -0.8258   -0.8258       -0.0000    0.0000       -0.2046   -0.2046
 3     -0.8258   -0.8258        0.6276    0.6276        0.0000    0.0000
 4      0.6276    0.6276        0.8258    0.8258      -17.8412  -17.8412
 5      0.2046    0.2046       40.8699   40.8699       -0.8258   -0.8258
 6    -23.0287  -23.0287       -0.2046   -0.2046       -0.6276   -0.6276
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0037    0.0000        0.8299    0.8368        0.2343    0.2728
 2     -0.8286   -0.8368       -1.0979   -1.1011       23.8430   23.7883
 3     -0.2907   -0.2728      -54.4626  -54.4932        1.0717    1.1011
 4      1.0985    1.1011       -0.0033    0.0000       -0.2699   -0.2728
 5     30.7178   30.7049        0.2699    0.2728        0.8306    0.8368
 6     -1.0747   -1.1011       -0.8444   -0.8368        0.0077    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0612    0.0000        1.9417    1.9111        0.5345    0.4904
 2     -1.9252   -1.9111        8.6754    8.7212       -5.2297   -5.2295
 3     -0.4241   -0.4904        2.7191    2.6847       -8.6726   -8.7212
 4     -8.7290   -8.7212        0.0234    0.0000       -0.4839   -0.4904
 5      2.4774    2.5448        0.4665    0.4904        1.9505    1.9111
 6      8.7312    8.7212       -1.9297   -1.9111       -0.0127    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.9677   -1.9540       19.7815   19.7824        7.5716    7.6055
 2    -20.7730  -20.7403       22.0573   22.0303        7.5784    7.6055
 3    -20.7751  -20.7403       19.8277   19.7824        4.1515    4.1696
 4     -2.2301   -2.2479       18.7255   18.7863      -10.3572  -10.3969
 5     -3.4127   -3.4359        0.8413    0.8152      -18.7718  -18.7863
 6      9.5400    9.5817        3.3965    3.4359        2.2115    2.2479
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9418   -0.0005   -0.0004    0.0005    4.6992   10.1764
 Low frequencies ---   85.9645  172.0819  241.6185
 Diagonal vibrational polarizability:
        3.5032084       3.8653291      21.0127098
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.9637               172.0815               241.6185
 Red. masses --      2.9598                 1.9348                 1.0574
 Frc consts  --      0.0129                 0.0338                 0.0364
 IR Inten    --      5.5435                 0.2528                 0.0665
 RamAct Fr= 1--      0.4234                 0.3018                 0.0684
  Dep-P Fr= 1--      0.7197                 0.6368                 0.5603
  Dep-U Fr= 1--      0.8370                 0.7781                 0.7182
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0002
 Beta2  Fr= 1--      0.0591                 0.0391                 0.0082
 AlphaG Fr= 1--     -0.0013                -0.0043                -0.0002
 Gamma2 Fr= 1--     -0.1569                -0.2331                -0.0711
 Delta2 Fr= 1--      0.1287                -0.0675                 0.0541
 Raman1 Fr= 1--       1.694                  1.207                  0.274
 ROA1   Fr= 1--     -10.947                -24.541                 -5.096
 CID1   Fr= 1--      -6.463                -20.326                -18.629
 Raman2 Fr= 1--       0.709                  0.470                  0.098
 ROA2   Fr= 1--      -4.796                 -5.055                 -2.140
 CID2   Fr= 1--      -6.766                -10.761                -21.786
 Raman3 Fr= 1--       1.418                  0.939                  0.196
 ROA3   Fr= 1--     -10.947                -24.541                 -5.096
 CID3   Fr= 1--      -7.722                -26.122                -25.939
 RC180  Fr= 1--       0.674                  0.556                  0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.03  -0.04   0.17    -0.01   0.01   0.03
     2   6     0.04   0.03  -0.03    -0.02   0.02   0.06     0.00   0.03   0.00
     3   6     0.00  -0.01  -0.13     0.02  -0.01  -0.15    -0.01   0.00  -0.00
     4   6     0.00   0.00  -0.03    -0.01   0.01  -0.02     0.00  -0.00  -0.01
     5   6    -0.00  -0.02  -0.24     0.00   0.01   0.08     0.01   0.01  -0.03
     6   1     0.13  -0.11  -0.19     0.30  -0.17  -0.28     0.02   0.00  -0.01
     7   1    -0.07   0.07  -0.25    -0.14   0.12  -0.40    -0.03   0.00  -0.02
     8   8     0.01   0.01   0.24    -0.01   0.02   0.02     0.01  -0.02   0.00
     9   1    -0.04   0.14  -0.46     0.04  -0.03   0.12     0.02   0.04  -0.06
    10   1    -0.02  -0.29  -0.34    -0.02   0.07   0.10     0.01  -0.03  -0.04
    11   1     0.02   0.03   0.13     0.08   0.02   0.38    -0.01   0.04   0.08
    12   1    -0.14  -0.08   0.05    -0.25  -0.20   0.22    -0.04  -0.03   0.04
    13   6    -0.03  -0.00   0.13     0.04   0.00  -0.13    -0.01  -0.02  -0.00
    14   1     0.18   0.13  -0.02    -0.12   0.10   0.07     0.01   0.04   0.00
    15   1    -0.18  -0.11   0.13     0.18  -0.10  -0.14     0.12   0.51   0.03
    16   1     0.01   0.03   0.31    -0.01   0.05  -0.15     0.12  -0.34  -0.47
    17   1     0.04   0.04   0.09     0.01   0.05  -0.26    -0.28  -0.30   0.43
                      4                      5                      6
                      A                      A                      A
 Frequencies --    281.8158               413.1140               461.5819
 Red. masses --      2.5876                 1.8208                 2.2680
 Frc consts  --      0.1211                 0.1831                 0.2847
 IR Inten    --      1.0650                 0.5374                 0.5640
 RamAct Fr= 1--      0.4380                 0.9854                 2.5462
  Dep-P Fr= 1--      0.7105                 0.1261                 0.3064
  Dep-U Fr= 1--      0.8307                 0.2239                 0.4691
 Alpha2 Fr= 1--      0.0003                 0.0162                 0.0256
 Beta2  Fr= 1--      0.0606                 0.0368                 0.1991
 AlphaG Fr= 1--     -0.0027                 0.0069                 0.0371
 Gamma2 Fr= 1--     -0.1812                -0.2201                 0.8902
 Delta2 Fr= 1--      0.0424                -0.0545                -0.4416
 Raman1 Fr= 1--       1.752                  3.942                 10.185
 ROA1   Fr= 1--     -16.040                -22.877                 71.324
 CID1   Fr= 1--      -9.154                 -5.804                  7.003
 Raman2 Fr= 1--       0.728                  0.441                  2.389
 ROA2   Fr= 1--      -4.689                 -4.847                 24.897
 CID2   Fr= 1--      -6.443                -10.983                 10.421
 Raman3 Fr= 1--       1.456                  0.883                  4.778
 ROA3   Fr= 1--     -16.040                -22.877                 71.324
 CID3   Fr= 1--     -11.020                -25.917                 14.927
 RC180  Fr= 1--       0.661                 -0.552                 -0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.13   0.01    -0.02   0.10  -0.03     0.03   0.03   0.00
     2   6    -0.01  -0.12  -0.00     0.03   0.01   0.17    -0.08   0.02  -0.04
     3   6     0.05  -0.04   0.02    -0.03  -0.03  -0.00     0.07  -0.01   0.01
     4   6    -0.03  -0.01  -0.00    -0.02  -0.02   0.04     0.06   0.00   0.23
     5   6    -0.05  -0.12  -0.03    -0.01  -0.05  -0.02     0.00  -0.05   0.01
     6   1     0.05  -0.00   0.03    -0.07  -0.12  -0.03     0.21  -0.43  -0.17
     7   1     0.08  -0.03   0.05    -0.07  -0.01  -0.05    -0.01   0.29  -0.32
     8   8    -0.08   0.12  -0.01    -0.05   0.04  -0.02     0.05  -0.01  -0.10
     9   1    -0.11  -0.06  -0.10    -0.01   0.16  -0.33    -0.18   0.15  -0.25
    10   1    -0.08  -0.21  -0.06    -0.09  -0.42  -0.13     0.23  -0.37  -0.13
    11   1     0.09  -0.14   0.04    -0.11   0.00  -0.31     0.04  -0.00  -0.04
    12   1     0.04  -0.18   0.01     0.03   0.44  -0.06     0.09   0.03  -0.01
    13   6     0.08   0.22   0.01     0.11  -0.04  -0.03    -0.14   0.04  -0.01
    14   1    -0.01  -0.14  -0.00     0.03   0.01   0.17    -0.13   0.03  -0.04
    15   1     0.17   0.52   0.03     0.37  -0.13  -0.04    -0.24   0.06  -0.00
    16   1    -0.14   0.35  -0.22     0.07  -0.05  -0.16    -0.12   0.04   0.05
    17   1     0.32   0.21   0.23    -0.01  -0.02  -0.19    -0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    489.2637               539.5868               585.8708
 Red. masses --      3.5448                 3.7346                 2.7715
 Frc consts  --      0.4999                 0.6406                 0.5605
 IR Inten    --      7.6932                 4.0311                 3.5677
 RamAct Fr= 1--      1.7185                 6.2675                 1.8203
  Dep-P Fr= 1--      0.7360                 0.1573                 0.6777
  Dep-U Fr= 1--      0.8479                 0.2718                 0.8079
 Alpha2 Fr= 1--      0.0004                 0.0951                 0.0023
 Beta2  Fr= 1--      0.2429                 0.2839                 0.2451
 AlphaG Fr= 1--     -0.0026                 0.1123                 0.0289
 Gamma2 Fr= 1--      0.0140                -0.2862                -0.1830
 Delta2 Fr= 1--      0.1606                 0.1482                 0.1605
 Raman1 Fr= 1--       6.874                 25.070                  7.281
 ROA1   Fr= 1--       6.484                -22.729                -12.434
 CID1   Fr= 1--       0.943                 -0.907                 -1.708
 Raman2 Fr= 1--       2.914                  3.407                  2.941
 ROA2   Fr= 1--      -0.949                 -8.053                 -5.677
 CID2   Fr= 1--      -0.326                 -2.363                 -1.930
 Raman3 Fr= 1--       5.829                  6.815                  5.883
 ROA3   Fr= 1--       6.484                -22.729                -12.434
 CID3   Fr= 1--       1.112                 -3.335                 -2.114
 RC180  Fr= 1--       0.696                 -0.456                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.03  -0.05  -0.03     0.18   0.08   0.05
     2   6     0.05   0.11  -0.10     0.16   0.03  -0.12    -0.03   0.07   0.03
     3   6    -0.03  -0.21   0.03    -0.04   0.00   0.04     0.17  -0.08   0.05
     4   6     0.04  -0.13   0.03    -0.19   0.04   0.19    -0.09  -0.10  -0.11
     5   6     0.17  -0.05   0.01    -0.03   0.15  -0.03    -0.05   0.03  -0.05
     6   1    -0.07  -0.32   0.00     0.08  -0.33  -0.11     0.42  -0.14  -0.04
     7   1    -0.15  -0.27  -0.03     0.05   0.40  -0.22     0.05   0.04  -0.17
     8   8    -0.11   0.25  -0.01    -0.17  -0.10  -0.06    -0.12  -0.08   0.04
     9   1     0.36  -0.19   0.18    -0.16   0.10   0.07     0.23  -0.13   0.14
    10   1     0.34   0.19   0.06     0.15   0.21  -0.04    -0.17   0.28   0.06
    11   1    -0.23   0.14   0.06    -0.06   0.09   0.14     0.04  -0.02  -0.28
    12   1    -0.05  -0.04   0.00     0.02  -0.22  -0.01     0.41   0.33  -0.01
    13   6    -0.02  -0.03   0.01     0.21  -0.04   0.04    -0.08   0.04  -0.01
    14   1     0.06   0.13  -0.10     0.28   0.01  -0.12    -0.06   0.16   0.04
    15   1    -0.20  -0.07   0.01     0.11  -0.03   0.04    -0.07   0.07  -0.01
    16   1     0.16  -0.15   0.14     0.26  -0.07   0.10    -0.09   0.05  -0.03
    17   1    -0.13  -0.08   0.04     0.22  -0.05   0.08    -0.07   0.04   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    728.5251               813.0151               846.7990
 Red. masses --      1.9441                 3.0333                 2.2085
 Frc consts  --      0.6079                 1.1813                 0.9331
 IR Inten    --      2.3210                 3.4007                 0.6577
 RamAct Fr= 1--      2.5213                13.3574                 5.1751
  Dep-P Fr= 1--      0.0695                 0.1033                 0.1350
  Dep-U Fr= 1--      0.1300                 0.1873                 0.2379
 Alpha2 Fr= 1--      0.0475                 0.2320                 0.0831
 Beta2  Fr= 1--      0.0546                 0.4170                 0.2052
 AlphaG Fr= 1--     -0.0171                -0.1262                -0.1941
 Gamma2 Fr= 1--     -0.1584                 0.8453                -0.3920
 Delta2 Fr= 1--     -0.3590                -0.0016                 0.1584
 Raman1 Fr= 1--      10.085                 53.430                 20.700
 ROA1   Fr= 1--     -26.691                 81.099                -32.565
 CID1   Fr= 1--      -2.647                  1.518                 -1.573
 Raman2 Fr= 1--       0.655                  5.004                  2.462
 ROA2   Fr= 1--      -0.928                 20.301                -10.675
 CID2   Fr= 1--      -1.417                  4.057                 -4.335
 Raman3 Fr= 1--       1.311                 10.008                  4.925
 ROA3   Fr= 1--     -26.691                 81.099                -32.565
 CID3   Fr= 1--     -20.361                  8.104                 -6.612
 RC180  Fr= 1--      -0.740                 -0.625                 -0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.04    -0.05   0.10   0.07     0.04   0.19   0.06
     2   6    -0.01  -0.07  -0.01    -0.02  -0.08  -0.07     0.01   0.01  -0.12
     3   6    -0.06  -0.08   0.10    -0.07   0.26   0.05     0.02  -0.05  -0.04
     4   6     0.08   0.07  -0.02    -0.04  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.10   0.05  -0.09     0.13  -0.23  -0.04    -0.15  -0.07   0.08
     6   1     0.20  -0.42  -0.08     0.25   0.09  -0.09    -0.02   0.12   0.03
     7   1    -0.30   0.09  -0.26    -0.22   0.41  -0.21    -0.15  -0.32   0.05
     8   8     0.11   0.04  -0.00    -0.04  -0.01   0.01     0.01  -0.01   0.01
     9   1    -0.18  -0.15   0.22     0.23  -0.40   0.18    -0.43   0.01  -0.00
    10   1    -0.24   0.39   0.05     0.22   0.07   0.05    -0.13  -0.21   0.03
    11   1    -0.25  -0.05  -0.23     0.00  -0.04  -0.14    -0.06   0.33   0.20
    12   1     0.15   0.20  -0.02     0.13   0.24   0.03     0.00   0.02   0.07
    13   6     0.04  -0.02   0.01     0.05  -0.03  -0.00     0.10  -0.03  -0.02
    14   1     0.07   0.01  -0.01    -0.05   0.03  -0.06    -0.18  -0.01  -0.12
    15   1     0.10   0.03   0.01    -0.11   0.04   0.01    -0.27   0.09  -0.00
    16   1    -0.06   0.05  -0.05     0.06  -0.01   0.08     0.18  -0.02   0.21
    17   1     0.13   0.00   0.02     0.17  -0.05   0.13     0.27  -0.08   0.23
                     13                     14                     15
                      A                      A                      A
 Frequencies --    893.0032               938.9536               953.0763
 Red. masses --      1.6298                 1.7363                 1.3845
 Frc consts  --      0.7658                 0.9019                 0.7410
 IR Inten    --      4.7625                 0.6940                 2.0220
 RamAct Fr= 1--      0.8412                 1.4635                 0.7499
  Dep-P Fr= 1--      0.3238                 0.4747                 0.4253
  Dep-U Fr= 1--      0.4891                 0.6438                 0.5968
 Alpha2 Fr= 1--      0.0080                 0.0081                 0.0051
 Beta2  Fr= 1--      0.0686                 0.1570                 0.0746
 AlphaG Fr= 1--      0.0418                -0.0177                 0.0497
 Gamma2 Fr= 1--      0.1000                 0.0859                -0.3618
 Delta2 Fr= 1--     -0.2802                 0.3621                -0.0725
 Raman1 Fr= 1--       3.365                  5.854                  3.000
 ROA1   Fr= 1--       0.631                 19.829                -37.056
 CID1   Fr= 1--       0.187                  3.387                -12.354
 Raman2 Fr= 1--       0.823                  1.884                  0.895
 ROA2   Fr= 1--       4.640                 -0.836                 -8.104
 CID2   Fr= 1--       5.639                 -0.444                 -9.054
 Raman3 Fr= 1--       1.646                  3.769                  1.790
 ROA3   Fr= 1--       0.631                 19.829                -37.056
 CID3   Fr= 1--       0.383                  5.261                -20.700
 RC180  Fr= 1--      -0.022                  0.288                  0.194
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.09   0.05    -0.07  -0.07  -0.06    -0.04  -0.08   0.07
     2   6     0.01  -0.02  -0.03     0.01   0.11  -0.01    -0.00   0.04   0.00
     3   6    -0.06  -0.03   0.02     0.06   0.02   0.06     0.04  -0.01  -0.09
     4   6    -0.03   0.06  -0.08     0.00   0.02  -0.05    -0.00   0.02   0.07
     5   6     0.09   0.09   0.10    -0.06  -0.10   0.04    -0.03  -0.02  -0.04
     6   1     0.30   0.14  -0.02     0.22  -0.04  -0.00    -0.07   0.26   0.03
     7   1    -0.23  -0.06  -0.10     0.13   0.23  -0.06     0.21  -0.12   0.15
     8   8    -0.01  -0.00   0.01     0.02  -0.01   0.01     0.01  -0.01  -0.01
     9   1     0.04   0.34  -0.26    -0.06  -0.08   0.01    -0.29  -0.13   0.16
    10   1     0.08  -0.33  -0.04    -0.28  -0.11   0.07     0.25   0.15  -0.02
    11   1    -0.23  -0.14  -0.27    -0.18   0.02  -0.01    -0.06  -0.29  -0.32
    12   1     0.32   0.12  -0.03     0.05  -0.16  -0.08    -0.05   0.40   0.04
    13   6     0.01  -0.00  -0.04     0.05   0.10   0.01     0.03   0.01  -0.01
    14   1    -0.22  -0.06  -0.03    -0.05  -0.06  -0.02    -0.03   0.44   0.03
    15   1    -0.29   0.07  -0.02    -0.07  -0.21  -0.01    -0.12   0.02  -0.01
    16   1     0.09  -0.01   0.15     0.49  -0.28   0.15     0.14  -0.05   0.09
    17   1     0.09  -0.05   0.14    -0.48  -0.03  -0.11    -0.01  -0.04   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0357              1007.7734              1085.6066
 Red. masses --      1.7890                 1.2097                 2.6980
 Frc consts  --      1.0562                 0.7239                 1.8734
 IR Inten    --      2.3278                 1.1242                14.4784
 RamAct Fr= 1--      4.8368                 1.7592                 2.3249
  Dep-P Fr= 1--      0.4057                 0.3729                 0.7421
  Dep-U Fr= 1--      0.5772                 0.5433                 0.8520
 Alpha2 Fr= 1--      0.0351                 0.0143                 0.0003
 Beta2  Fr= 1--      0.4653                 0.1593                 0.3301
 AlphaG Fr= 1--      0.0211                -0.1231                 0.0086
 Gamma2 Fr= 1--     -0.6085                -0.5357                -0.1016
 Delta2 Fr= 1--      0.1389                 1.2252                 0.3707
 Raman1 Fr= 1--      19.347                  7.037                  9.300
 ROA1   Fr= 1--     -53.966                -12.219                  2.109
 CID1   Fr= 1--      -2.789                 -1.736                  0.227
 Raman2 Fr= 1--       5.584                  1.911                  3.962
 ROA2   Fr= 1--     -15.715                -22.659                 -5.404
 CID2   Fr= 1--      -2.814                -11.854                 -1.364
 Raman3 Fr= 1--      11.168                  3.823                  7.923
 ROA3   Fr= 1--     -53.966                -12.219                  2.109
 CID3   Fr= 1--      -4.832                 -3.196                  0.266
 RC180  Fr= 1--       0.154                  0.087                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.04  -0.01     0.04   0.01   0.03     0.04   0.03   0.04
     2   6     0.00  -0.04  -0.03     0.04   0.00  -0.05     0.26  -0.09   0.05
     3   6     0.17  -0.02   0.01    -0.04   0.01  -0.02    -0.03  -0.05  -0.00
     4   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.06   0.14  -0.01
     5   6     0.02   0.02   0.02    -0.01  -0.03   0.03     0.06  -0.08   0.01
     6   1     0.34   0.22   0.06     0.19   0.22  -0.00    -0.25  -0.15   0.01
     7   1     0.36   0.10   0.07    -0.28  -0.21  -0.04     0.17   0.11   0.03
     8   8    -0.01  -0.02   0.00    -0.01  -0.00   0.00    -0.01  -0.02   0.00
     9   1    -0.02   0.06  -0.03    -0.34  -0.03   0.06    -0.18  -0.11   0.08
    10   1     0.14  -0.05  -0.02     0.30  -0.05  -0.03    -0.29  -0.05   0.07
    11   1    -0.56   0.28   0.02    -0.06   0.03  -0.03    -0.20   0.19   0.07
    12   1    -0.14   0.05  -0.01     0.28  -0.06  -0.02    -0.21   0.25   0.08
    13   6    -0.02  -0.05   0.02    -0.05   0.04   0.06    -0.14   0.06  -0.11
    14   1     0.11  -0.12  -0.03     0.39  -0.06  -0.04     0.34  -0.05   0.05
    15   1     0.16   0.04   0.02     0.34  -0.13   0.03    -0.44   0.09  -0.11
    16   1    -0.24   0.11  -0.13    -0.09  -0.03  -0.20    -0.07   0.04   0.04
    17   1     0.17   0.03  -0.02    -0.27   0.09  -0.24    -0.18  -0.01   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1149.8992              1161.7118              1173.7216
 Red. masses --      2.1147                 3.0108                 1.5625
 Frc consts  --      1.6475                 2.3940                 1.2683
 IR Inten    --      1.5556                57.5608                 6.6993
 RamAct Fr= 1--      2.7191                 2.8472                 1.3286
  Dep-P Fr= 1--      0.7361                 0.7304                 0.6847
  Dep-U Fr= 1--      0.8480                 0.8442                 0.8129
 Alpha2 Fr= 1--      0.0006                 0.0010                 0.0015
 Beta2  Fr= 1--      0.3843                 0.4006                 0.1800
 AlphaG Fr= 1--     -0.0045                 0.0006                 0.0054
 Gamma2 Fr= 1--     -0.9857                 0.3489                -1.0669
 Delta2 Fr= 1--      0.3015                -0.0491                 0.2986
 Raman1 Fr= 1--      10.876                 11.389                  5.315
 ROA1   Fr= 1--     -84.976                 31.923                -92.866
 CID1   Fr= 1--      -7.813                  2.803                -17.474
 Raman2 Fr= 1--       4.611                  4.807                  2.160
 ROA2   Fr= 1--     -26.068                  8.765                -27.994
 CID2   Fr= 1--      -5.653                  1.823                -12.960
 Raman3 Fr= 1--       9.223                  9.614                  4.320
 ROA3   Fr= 1--     -84.976                 31.923                -92.866
 CID3   Fr= 1--      -9.214                  3.320                -21.496
 RC180  Fr= 1--       0.696                  0.688                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.05     0.08   0.02  -0.03     0.06  -0.04   0.01
     2   6     0.08   0.17  -0.00    -0.13   0.04  -0.02    -0.01   0.06   0.02
     3   6    -0.08   0.04   0.03     0.01  -0.13   0.04    -0.06  -0.02  -0.09
     4   6     0.04  -0.08  -0.07    -0.11   0.28  -0.11    -0.02   0.07   0.12
     5   6    -0.07  -0.06   0.09     0.04  -0.13   0.04    -0.03  -0.06  -0.05
     6   1     0.01  -0.06  -0.03    -0.27  -0.33   0.03     0.08   0.32  -0.00
     7   1     0.16   0.37  -0.04     0.11   0.04  -0.02     0.01  -0.11   0.05
     8   8     0.02   0.02   0.01     0.03  -0.04   0.02     0.03  -0.00  -0.02
     9   1    -0.12   0.01  -0.01     0.06  -0.10  -0.01     0.53  -0.14  -0.00
    10   1    -0.04  -0.17   0.04     0.56  -0.05  -0.02    -0.27   0.07   0.04
    11   1    -0.10   0.01  -0.02    -0.01   0.13   0.09    -0.44   0.26   0.02
    12   1     0.05  -0.05  -0.05    -0.15  -0.01   0.02     0.36  -0.15  -0.04
    13   6    -0.04  -0.11  -0.01     0.04  -0.03   0.07     0.00  -0.02   0.00
    14   1     0.20   0.47   0.02    -0.19   0.34  -0.01    -0.09  -0.11   0.01
    15   1     0.05   0.24   0.01     0.28  -0.03   0.06     0.02   0.04   0.01
    16   1    -0.38   0.21  -0.08    -0.04  -0.00  -0.06    -0.06   0.04   0.00
    17   1     0.38   0.02   0.05     0.09   0.03  -0.03     0.09   0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1224.2581              1255.4362              1269.5278
 Red. masses --      1.6254                 1.4809                 1.5134
 Frc consts  --      1.4353                 1.3752                 1.4371
 IR Inten    --      1.2887                 0.2313                 7.1775
 RamAct Fr= 1--      1.8389                 4.8422                 0.6917
  Dep-P Fr= 1--      0.5748                 0.6911                 0.3618
  Dep-U Fr= 1--      0.7300                 0.8173                 0.5313
 Alpha2 Fr= 1--      0.0061                 0.0050                 0.0058
 Beta2  Fr= 1--      0.2237                 0.6596                 0.0613
 AlphaG Fr= 1--      0.0069                -0.0012                 0.0140
 Gamma2 Fr= 1--     -1.3982                 2.2970                -0.6998
 Delta2 Fr= 1--     -0.7776                 0.1919                -0.5858
 Raman1 Fr= 1--       7.356                 19.369                  2.767
 ROA1   Fr= 1--    -159.107                226.653                -85.923
 CID1   Fr= 1--     -21.630                 11.702                -31.055
 Raman2 Fr= 1--       2.685                  7.915                  0.735
 ROA2   Fr= 1--     -27.335                 53.592                -12.108
 CID2   Fr= 1--     -10.182                  6.771                -16.473
 Raman3 Fr= 1--       5.369                 15.830                  1.470
 ROA3   Fr= 1--    -159.107                226.653                -85.923
 CID3   Fr= 1--     -29.632                 14.318                -58.450
 RC180  Fr= 1--       0.460                  0.635                  0.063
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.13     0.07   0.02   0.00    -0.02   0.02  -0.03
     2   6     0.01   0.02   0.15    -0.05  -0.04   0.08    -0.02   0.05  -0.00
     3   6     0.02  -0.01   0.05    -0.11  -0.05  -0.02    -0.00  -0.04  -0.01
     4   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.02   0.03   0.03
     5   6    -0.02  -0.02  -0.04     0.02   0.03  -0.05     0.18  -0.02  -0.03
     6   1     0.43   0.21   0.03     0.06   0.15   0.01     0.13   0.13   0.02
     7   1    -0.38  -0.27  -0.07     0.41   0.45   0.01     0.00  -0.04  -0.00
     8   8    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.03  -0.01  -0.00
     9   1    -0.11  -0.10   0.09    -0.37  -0.02   0.08    -0.59  -0.04   0.09
    10   1     0.35   0.10  -0.05     0.35   0.11  -0.07    -0.60   0.03   0.11
    11   1     0.13   0.05   0.12    -0.23   0.25   0.11     0.14  -0.06  -0.00
    12   1    -0.11  -0.25  -0.10     0.14  -0.08   0.00     0.11  -0.17  -0.04
    13   6     0.00  -0.02  -0.08     0.02   0.03  -0.02    -0.00  -0.04   0.03
    14   1     0.10   0.09   0.15    -0.21  -0.19   0.07    -0.28   0.11  -0.00
    15   1    -0.28   0.13  -0.06    -0.07  -0.04  -0.01     0.11   0.03   0.03
    16   1     0.00   0.07   0.15     0.09  -0.02   0.07    -0.11   0.04  -0.05
    17   1     0.10  -0.08   0.15    -0.08  -0.03   0.05     0.07   0.02  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1306.2423              1322.2091              1349.7942
 Red. masses --      1.3296                 1.3833                 1.3208
 Frc consts  --      1.3366                 1.4248                 1.4178
 IR Inten    --      2.2960                 3.5079                 2.0346
 RamAct Fr= 1--      3.0951                 0.8254                 5.0039
  Dep-P Fr= 1--      0.7482                 0.7472                 0.7468
  Dep-U Fr= 1--      0.8560                 0.8553                 0.8550
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      0.4415                 0.1177                 0.7131
 AlphaG Fr= 1--      0.0060                 0.0010                -0.0106
 Gamma2 Fr= 1--     -4.1231                 0.0967                -1.1064
 Delta2 Fr= 1--     -1.0861                -0.6380                 1.2269
 Raman1 Fr= 1--      12.380                  3.302                 20.016
 ROA1   Fr= 1--    -430.572                -11.130                -66.955
 CID1   Fr= 1--     -34.778                 -3.371                 -3.345
 Raman2 Fr= 1--       5.299                  1.412                  8.557
 ROA2   Fr= 1--     -90.265                  7.426                -36.368
 CID2   Fr= 1--     -17.036                  5.259                 -4.250
 Raman3 Fr= 1--      10.597                  2.824                 17.114
 ROA3   Fr= 1--    -430.572                -11.130                -66.955
 CID3   Fr= 1--     -40.631                 -3.941                 -3.912
 RC180  Fr= 1--       0.712                  0.711                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.02    -0.11   0.08   0.05    -0.01   0.05  -0.03
     2   6     0.01  -0.01  -0.06    -0.02   0.05   0.02    -0.04  -0.14   0.00
     3   6    -0.09  -0.10   0.03    -0.01  -0.07  -0.03    -0.01  -0.02  -0.01
     4   6    -0.00   0.02   0.03    -0.02   0.04  -0.01     0.00  -0.02   0.01
     5   6    -0.03  -0.01   0.01    -0.01  -0.02   0.01     0.01   0.03   0.03
     6   1     0.50   0.41   0.07    -0.07  -0.00   0.01     0.00   0.07   0.01
     7   1     0.15   0.21  -0.03     0.29   0.14   0.04     0.06   0.08  -0.03
     8   8     0.02   0.01  -0.01     0.01  -0.00   0.00     0.00   0.01  -0.00
     9   1     0.24   0.01  -0.04     0.07  -0.01  -0.01     0.15   0.06  -0.02
    10   1    -0.10  -0.04   0.01     0.06  -0.02   0.00    -0.15  -0.08   0.02
    11   1     0.35  -0.14   0.01     0.40  -0.31  -0.11    -0.05   0.11   0.04
    12   1    -0.44   0.24   0.06     0.47  -0.27  -0.04     0.23  -0.27  -0.06
    13   6    -0.01   0.01   0.02    -0.00  -0.02  -0.05     0.01   0.04  -0.01
    14   1     0.04   0.02  -0.06     0.41  -0.27   0.00     0.24   0.81   0.06
    15   1     0.05  -0.03   0.01    -0.05   0.06  -0.03    -0.04  -0.14  -0.02
    16   1     0.02  -0.04  -0.05     0.04   0.01   0.09     0.08  -0.05  -0.03
    17   1    -0.02   0.03  -0.06     0.12  -0.03   0.09    -0.08  -0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1386.8413              1416.8470              1450.1610
 Red. masses --      1.5337                 1.2493                 1.0910
 Frc consts  --      1.7380                 1.4776                 1.3517
 IR Inten    --      4.6972                 4.0681                16.6473
 RamAct Fr= 1--      3.2759                 0.0894                 1.5065
  Dep-P Fr= 1--      0.6740                 0.3950                 0.7470
  Dep-U Fr= 1--      0.8052                 0.5663                 0.8552
 Alpha2 Fr= 1--      0.0044                 0.0007                 0.0001
 Beta2  Fr= 1--      0.4396                 0.0084                 0.2147
 AlphaG Fr= 1--     -0.0082                 0.0097                -0.0024
 Gamma2 Fr= 1--     -1.1166                -0.0116                -0.4179
 Delta2 Fr= 1--      0.2619                 0.0511                 0.2100
 Raman1 Fr= 1--      13.103                  0.358                  6.026
 ROA1   Fr= 1--     -98.813                  0.524                -33.394
 CID1   Fr= 1--      -7.541                  1.465                 -5.542
 Raman2 Fr= 1--       5.276                  0.101                  2.577
 ROA2   Fr= 1--     -28.893                 -0.687                -11.709
 CID2   Fr= 1--      -5.477                 -6.784                 -4.544
 Raman3 Fr= 1--      10.551                  0.203                  5.153
 ROA3   Fr= 1--     -98.813                  0.524                -33.394
 CID3   Fr= 1--      -9.365                  2.587                 -6.481
 RC180  Fr= 1--       0.610                  0.133                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.04   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.18   0.03  -0.01     0.02  -0.01   0.01     0.02  -0.01   0.00
     3   6    -0.01   0.02  -0.00    -0.00   0.01   0.00     0.02  -0.02   0.00
     4   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
     5   6     0.07  -0.01   0.02     0.00  -0.00  -0.00    -0.01  -0.07   0.02
     6   1     0.04  -0.04  -0.03     0.01   0.00  -0.00    -0.18   0.18   0.11
     7   1    -0.02  -0.05   0.05    -0.03  -0.01  -0.00    -0.11   0.12  -0.22
     8   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.14   0.10  -0.10    -0.02   0.02  -0.03    -0.05   0.35  -0.54
    10   1    -0.22   0.08   0.09     0.00   0.04   0.01     0.04   0.60   0.22
    11   1    -0.19   0.10   0.00    -0.03   0.01  -0.00     0.03   0.00   0.04
    12   1    -0.26   0.18   0.06    -0.03  -0.00  -0.00     0.06   0.02  -0.01
    13   6     0.04  -0.00  -0.05    -0.13   0.04  -0.04     0.00  -0.00   0.00
    14   1     0.78  -0.15  -0.00    -0.06   0.01   0.01    -0.05   0.02   0.00
    15   1    -0.05  -0.00  -0.04     0.56  -0.13  -0.05    -0.01  -0.01   0.00
    16   1     0.09   0.01   0.14     0.38  -0.33   0.26    -0.04   0.03  -0.01
    17   1     0.06  -0.08   0.14     0.48   0.08   0.28    -0.04  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1453.9407              1496.2972              1499.7307
 Red. masses --      1.0894                 1.0556                 1.0530
 Frc consts  --      1.3569                 1.3925                 1.3954
 IR Inten    --      3.3123                 1.9298                 5.6881
 RamAct Fr= 1--      9.0506                 2.8526                 3.9002
  Dep-P Fr= 1--      0.6632                 0.7167                 0.6770
  Dep-U Fr= 1--      0.7975                 0.8350                 0.8074
 Alpha2 Fr= 1--      0.0140                 0.0016                 0.0050
 Beta2  Fr= 1--      1.2029                 0.3970                 0.5249
 AlphaG Fr= 1--     -0.0819                -0.0113                -0.0025
 Gamma2 Fr= 1--      1.1185                 0.2434                 0.1935
 Delta2 Fr= 1--     -0.6904                -0.0742                -0.8346
 Raman1 Fr= 1--      36.203                 11.410                 15.601
 ROA1   Fr= 1--      85.287                 20.993                 -8.128
 CID1   Fr= 1--       2.356                  1.840                 -0.521
 Raman2 Fr= 1--      14.435                  4.764                  6.298
 ROA2   Fr= 1--      32.368                  6.435                 11.321
 CID2   Fr= 1--       2.242                  1.351                  1.797
 Raman3 Fr= 1--      28.870                  9.528                 12.596
 ROA3   Fr= 1--      85.287                 20.993                 -8.128
 CID3   Fr= 1--       2.954                  2.203                 -0.645
 RC180  Fr= 1--       0.595                  0.670                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.01   0.02   0.01     0.02   0.02   0.02
     2   6     0.02  -0.01  -0.00     0.00  -0.03  -0.01     0.02   0.01  -0.02
     3   6    -0.06   0.04  -0.02    -0.01   0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.03   0.01    -0.00   0.00   0.00    -0.01  -0.00   0.00
     6   1     0.42  -0.40  -0.26     0.03  -0.02  -0.02     0.03  -0.02  -0.02
     7   1     0.27  -0.28   0.51     0.03  -0.01   0.04     0.01  -0.02   0.03
     8   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.02   0.14  -0.22     0.02   0.03  -0.03     0.02   0.00  -0.01
    10   1     0.03   0.23   0.09    -0.01   0.03   0.01     0.00   0.00   0.00
    11   1     0.07   0.03   0.11    -0.06  -0.02  -0.14    -0.06  -0.09  -0.25
    12   1     0.10   0.07  -0.03    -0.07  -0.14   0.03    -0.16  -0.21   0.05
    13   6    -0.00   0.00   0.01    -0.01  -0.05  -0.02     0.02   0.02  -0.04
    14   1    -0.06   0.06   0.00    -0.01   0.07  -0.00    -0.08  -0.01  -0.02
    15   1    -0.01  -0.03   0.00     0.26   0.61   0.03     0.28  -0.32  -0.05
    16   1    -0.01  -0.00  -0.04     0.09   0.10   0.55    -0.27   0.37   0.19
    17   1    -0.01   0.00  -0.00    -0.26   0.03  -0.33    -0.31  -0.31   0.47
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1505.1046              1816.0933              2998.1861
 Red. masses --      1.0821                12.5633                 1.0812
 Frc consts  --      1.4442                24.4134                 5.7261
 IR Inten    --      7.6336               270.7608                 5.8995
 RamAct Fr= 1--      7.3058                19.2546               222.4414
  Dep-P Fr= 1--      0.7485                 0.6376                 0.2029
  Dep-U Fr= 1--      0.8562                 0.7787                 0.3374
 Alpha2 Fr= 1--      0.0002                 0.0391                 2.9975
 Beta2  Fr= 1--      1.0425                 2.4990                12.5079
 AlphaG Fr= 1--     -0.0019                -0.3566                 1.3780
 Gamma2 Fr= 1--     -0.2052                -5.2721               -10.2807
 Delta2 Fr= 1--      1.0007                -1.3425                -7.2019
 Raman1 Fr= 1--      29.223                 77.018                889.765
 ROA1   Fr= 1--      12.327               -549.086              -1217.411
 CID1   Fr= 1--       0.422                 -7.129                 -1.368
 Raman2 Fr= 1--      12.510                 29.988                150.095
 ROA2   Fr= 1--     -12.930               -115.791               -189.122
 CID2   Fr= 1--      -1.034                 -3.861                 -1.260
 Raman3 Fr= 1--      25.020                 59.976                300.189
 ROA3   Fr= 1--      12.327               -549.086              -1217.411
 CID3   Fr= 1--       0.493                 -9.155                 -4.055
 RC180  Fr= 1--       0.712                  0.557                 -0.325
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.03    -0.02  -0.01   0.00     0.00  -0.00   0.02
     2   6    -0.01  -0.01  -0.01    -0.03  -0.00  -0.00     0.00   0.00  -0.07
     3   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.76   0.30  -0.03    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.01   0.03
     6   1    -0.04   0.04   0.03     0.02   0.03  -0.00     0.00   0.00  -0.00
     7   1    -0.02   0.02  -0.06     0.10   0.11  -0.01    -0.01   0.01   0.01
     8   8     0.00   0.00  -0.00    -0.49  -0.20   0.02     0.00  -0.00  -0.00
     9   1     0.02  -0.04   0.07     0.15  -0.01  -0.00     0.01   0.01   0.02
    10   1    -0.03  -0.09  -0.03     0.02  -0.01   0.00    -0.06   0.11  -0.33
    11   1     0.21   0.15   0.55    -0.02  -0.02   0.01     0.01   0.01  -0.00
    12   1     0.33   0.51  -0.11     0.03   0.01  -0.01    -0.04  -0.01  -0.20
    13   6     0.01  -0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00   0.01
    14   1    -0.00   0.02  -0.01     0.04   0.01   0.00    -0.01  -0.05   0.90
    15   1     0.21   0.02  -0.02    -0.00  -0.00   0.00    -0.00   0.01  -0.10
    16   1    -0.08   0.18   0.25    -0.00   0.00   0.00     0.02   0.03  -0.01
    17   1    -0.19  -0.13   0.14    -0.00  -0.00   0.00     0.01  -0.04  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3015.0734              3022.2460              3027.8181
 Red. masses --      1.0698                 1.0426                 1.0652
 Frc consts  --      5.7302                 5.6107                 5.7537
 IR Inten    --     12.0131                16.1487                20.5116
 RamAct Fr= 1--     19.5390                65.2657               330.1531
  Dep-P Fr= 1--      0.5055                 0.0626                 0.0205
  Dep-U Fr= 1--      0.6716                 0.1178                 0.0402
 Alpha2 Fr= 1--      0.0940                 1.2511                 6.9930
 Beta2  Fr= 1--      2.1870                 1.2812                 2.2095
 AlphaG Fr= 1--      0.1929                -0.0153                 1.3884
 Gamma2 Fr= 1--     13.5279                -0.8491               -10.5421
 Delta2 Fr= 1--     12.4593                 0.2994                -1.0808
 Raman1 Fr= 1--      78.156                261.063               1320.612
 ROA1   Fr= 1--    1697.373                -71.927              -1046.627
 CID1   Fr= 1--      21.718                 -0.276                 -0.793
 Raman2 Fr= 1--      26.243                 15.375                 26.514
 ROA2   Fr= 1--     224.994                -22.773               -244.364
 CID2   Fr= 1--       8.573                 -1.481                 -9.216
 Raman3 Fr= 1--      52.487                 30.749                 53.028
 ROA3   Fr= 1--    1697.373                -71.927              -1046.627
 CID3   Fr= 1--      32.339                 -2.339                -19.737
 RC180  Fr= 1--       0.343                 -0.764                 -0.920
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.01   0.01   0.03    -0.02  -0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00   0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.04
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01   0.04  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     6   1     0.01  -0.02   0.05     0.03  -0.05   0.14    -0.11   0.17  -0.50
     7   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.05   0.04   0.07
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.02  -0.17  -0.15     0.00   0.01   0.01    -0.01  -0.05  -0.04
    10   1     0.13  -0.27   0.82    -0.00   0.00  -0.01     0.03  -0.07   0.20
    11   1    -0.02  -0.04   0.03    -0.06  -0.09   0.06     0.07   0.13  -0.09
    12   1    -0.05  -0.01  -0.28    -0.07  -0.01  -0.39     0.11   0.03   0.61
    13   6     0.00  -0.00   0.01    -0.04   0.01  -0.02    -0.02   0.00  -0.01
    14   1    -0.00  -0.02   0.27    -0.00   0.00  -0.06    -0.00  -0.01   0.22
    15   1     0.00   0.01  -0.11    -0.00  -0.04   0.61     0.00  -0.02   0.24
    16   1    -0.02  -0.02   0.01     0.31   0.34  -0.14     0.17   0.19  -0.07
    17   1    -0.01   0.04   0.02     0.12  -0.39  -0.18     0.07  -0.22  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3033.7885              3081.9646              3088.8540
 Red. masses --      1.0647                 1.1002                 1.0966
 Frc consts  --      5.7735                 6.1571                 6.1645
 IR Inten    --     38.6328                20.2723                52.7275
 RamAct Fr= 1--     29.9925                31.8561               158.1762
  Dep-P Fr= 1--      0.6662                 0.7476                 0.3385
  Dep-U Fr= 1--      0.7997                 0.8556                 0.5058
 Alpha2 Fr= 1--      0.0447                 0.0013                 1.4407
 Beta2  Fr= 1--      3.9975                 4.5425                13.3350
 AlphaG Fr= 1--      0.1378                -0.0218                -1.3835
 Gamma2 Fr= 1--     -3.1262               -14.9086                 5.8477
 Delta2 Fr= 1--     -7.9172               -10.1215                 2.8443
 Raman1 Fr= 1--     119.970                127.424                632.705
 ROA1   Fr= 1--    -553.470              -1755.109                652.395
 CID1   Fr= 1--      -4.613                -13.774                  1.031
 Raman2 Fr= 1--      47.969                 54.511                160.020
 ROA2   Fr= 1--     -11.692               -276.833                117.591
 CID2   Fr= 1--      -0.244                 -5.079                  0.735
 Raman3 Fr= 1--      95.939                109.021                320.040
 ROA3   Fr= 1--    -553.470              -1755.109                652.395
 CID3   Fr= 1--      -5.769                -16.099                  2.038
 RC180  Fr= 1--       0.599                  0.711                  0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03    -0.01  -0.02   0.02    -0.03  -0.05   0.05
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   6    -0.03   0.03  -0.04     0.00  -0.00   0.00     0.01  -0.01  -0.01
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     6   1     0.16  -0.24   0.71    -0.01   0.01  -0.03    -0.01   0.02  -0.05
     7   1     0.14  -0.14  -0.19    -0.02   0.02   0.03    -0.10   0.10   0.12
     8   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.03  -0.03    -0.00  -0.05  -0.04     0.01   0.08   0.06
    10   1     0.01  -0.03   0.08    -0.00  -0.00   0.00     0.00  -0.00   0.01
    11   1     0.12   0.21  -0.13     0.16   0.27  -0.15     0.37   0.65  -0.36
    12   1     0.08   0.02   0.45    -0.02  -0.01  -0.08    -0.05  -0.02  -0.26
    13   6    -0.01   0.00   0.00     0.04   0.02  -0.08    -0.02  -0.03   0.02
    14   1    -0.00  -0.01   0.14     0.00  -0.01   0.09     0.00   0.01  -0.11
    15   1     0.00  -0.00   0.05     0.01  -0.05   0.67    -0.01   0.01  -0.20
    16   1     0.05   0.06  -0.02    -0.37  -0.39   0.14     0.23   0.24  -0.09
    17   1     0.02  -0.08  -0.03    -0.07   0.26   0.09    -0.03   0.08   0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3089.5449              3102.4258              3103.9334
 Red. masses --      1.1014                 1.0926                 1.0949
 Frc consts  --      6.1939                 6.1961                 6.2149
 IR Inten    --     18.5267                13.5962                13.9656
 RamAct Fr= 1--     78.5902               119.5143               111.2514
  Dep-P Fr= 1--      0.6450                 0.2827                 0.4225
  Dep-U Fr= 1--      0.7842                 0.4408                 0.5941
 Alpha2 Fr= 1--      0.1487                 1.2899                 0.7588
 Beta2  Fr= 1--     10.2713                 8.7810                11.0149
 AlphaG Fr= 1--     -0.3531                -1.1348                -0.5797
 Gamma2 Fr= 1--     -3.2050                 9.9089                18.6203
 Delta2 Fr= 1--      1.6332                -2.2535                 9.8234
 Raman1 Fr= 1--     314.361                478.057                445.006
 ROA1   Fr= 1--    -255.421                879.140               2101.895
 CID1   Fr= 1--      -0.813                  1.839                  4.723
 Raman2 Fr= 1--     123.255                105.372                132.179
 ROA2   Fr= 1--     -89.987                255.841                368.300
 CID2   Fr= 1--      -0.730                  2.428                  2.786
 Raman3 Fr= 1--     246.511                210.745                264.357
 ROA3   Fr= 1--    -255.421                879.140               2101.895
 CID3   Fr= 1--      -1.036                  4.172                  7.951
 RC180  Fr= 1--       0.568                 -0.118                  0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01     0.00   0.00  -0.01     0.00   0.01  -0.02
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04  -0.04  -0.07
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.06  -0.06     0.00   0.00   0.00
     6   1     0.00  -0.00   0.01     0.01  -0.01   0.02     0.07  -0.10   0.24
     7   1     0.04  -0.03  -0.04    -0.01   0.01   0.01    -0.51   0.51   0.60
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.05  -0.03     0.07   0.78   0.55    -0.00  -0.04  -0.03
    10   1    -0.00   0.00  -0.01     0.03  -0.08   0.20    -0.00  -0.00   0.00
    11   1    -0.09  -0.16   0.09    -0.03  -0.05   0.03    -0.06  -0.11   0.06
    12   1     0.01   0.01   0.08     0.01   0.00   0.03     0.03   0.01   0.13
    13   6    -0.01  -0.08  -0.03     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.06    -0.00  -0.01   0.09    -0.00  -0.00   0.02
    15   1    -0.00  -0.03   0.19     0.00  -0.01   0.07     0.00  -0.00   0.02
    16   1     0.34   0.34  -0.15    -0.03  -0.03   0.01    -0.00  -0.00   0.00
    17   1    -0.23   0.70   0.31    -0.02   0.05   0.02    -0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   331.66288 924.196891179.12879
           X            0.99943  -0.03343   0.00480
           Y            0.03344   0.99944  -0.00209
           Z           -0.00472   0.00225   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.26115     0.09372     0.07346
 Rotational constants (GHZ):           5.44149     1.95277     1.53057
 Zero-point vibrational energy     390822.0 (Joules/Mol)
                                   93.40870 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.68   247.59   347.64   405.47   594.38
          (Kelvin)            664.11   703.94   776.35   842.94  1048.19
                             1169.75  1218.35  1284.83  1350.94  1371.26
                             1440.27  1449.96  1561.95  1654.45  1671.44
                             1688.72  1761.43  1806.29  1826.57  1879.39
                             1902.36  1942.05  1995.36  2038.53  2086.46
                             2091.90  2152.84  2157.78  2165.51  2612.95
                             4313.72  4338.02  4348.34  4356.35  4364.94
                             4434.26  4444.17  4445.17  4463.70  4465.87
 
 Zero-point correction=                           0.148856 (Hartree/Particle)
 Thermal correction to Energy=                    0.155806
 Thermal correction to Enthalpy=                  0.156750
 Thermal correction to Gibbs Free Energy=         0.117972
 Sum of electronic and zero-point Energies=           -309.886564
 Sum of electronic and thermal Energies=              -309.879614
 Sum of electronic and thermal Enthalpies=            -309.878670
 Sum of electronic and thermal Free Energies=         -309.917447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.770             26.230             81.615
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.382
 Vibrational             95.992             20.268             14.572
 Vibration     1          0.601              1.959              3.750
 Vibration     2          0.626              1.877              2.413
 Vibration     3          0.658              1.777              1.791
 Vibration     4          0.681              1.707              1.523
 Vibration     5          0.777              1.442              0.916
 Vibration     6          0.819              1.335              0.762
 Vibration     7          0.845              1.274              0.686
 Vibration     8          0.895              1.163              0.566
 Vibration     9          0.943              1.062              0.475
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.545147D-54        -54.263487       -124.946295
 Total V=0       0.160535D+15         14.205569         32.709531
 Vib (Bot)       0.663556D-67        -67.178123       -154.683344
 Vib (Bot)    1  0.239341D+01          0.379017          0.872718
 Vib (Bot)    2  0.117031D+01          0.068300          0.157266
 Vib (Bot)    3  0.810930D+00         -0.091017         -0.209574
 Vib (Bot)    4  0.681569D+00         -0.166490         -0.383358
 Vib (Bot)    5  0.427264D+00         -0.369303         -0.850353
 Vib (Bot)    6  0.368006D+00         -0.434145         -0.999655
 Vib (Bot)    7  0.339106D+00         -0.469665         -1.081443
 Vib (Bot)    8  0.293737D+00         -0.532041         -1.225071
 Vib (Bot)    9  0.258564D+00         -0.587432         -1.352613
 Vib (V=0)       0.195404D+02          1.290933          2.972483
 Vib (V=0)    1  0.294508D+01          0.469097          1.080135
 Vib (V=0)    2  0.177264D+01          0.248621          0.572471
 Vib (V=0)    3  0.145268D+01          0.162171          0.373413
 Vib (V=0)    4  0.134530D+01          0.128820          0.296619
 Vib (V=0)    5  0.115769D+01          0.063592          0.146426
 Vib (V=0)    6  0.112083D+01          0.049539          0.114069
 Vib (V=0)    7  0.110415D+01          0.043027          0.099073
 Vib (V=0)    8  0.107990D+01          0.033383          0.076866
 Vib (V=0)    9  0.106290D+01          0.026492          0.061000
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.215207D+06          5.332857         12.279357
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 3333333332                                               1          11111 11111111111  1  11                                        
 1100000009                                               8          55444 43333222111  0  0099 8 88   7     55 4 4 4    2 2 1       
 0098832219                                               1          00955 18520752765  8  0053 9 41   2     84 8 6 1    8 4 7   8   
 4209248258                                               6          50640 77026054420  6  8139 3 73   9     60 9 2 3    2 2 2   6   
 
 XXXXXXXXXX                                               X          XXXXX XXXXXXXXXXX  X  XXXX X XX   X     XX X X X    X X X   X   
    X XX                                                  X                         X                                                
    X X                                                   X                         X                                                
    X                                                     X                         X                                                
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007445    0.000005124   -0.000000213
      2        6          -0.000000856   -0.000063105   -0.000010563
      3        6          -0.000009791    0.000018613    0.000004756
      4        6           0.000014744   -0.000002382   -0.000007730
      5        6          -0.000004478    0.000013509    0.000009179
      6        1           0.000001435   -0.000000762    0.000002438
      7        1          -0.000002099   -0.000002148    0.000002827
      8        8          -0.000000773   -0.000002159   -0.000001080
      9        1           0.000002619    0.000001002   -0.000003367
     10        1           0.000002731    0.000003498   -0.000001570
     11        1          -0.000004277    0.000003381    0.000003465
     12        1          -0.000002748    0.000009876    0.000004963
     13        6           0.000001156    0.000004970    0.000003764
     14        1           0.000005025    0.000001037   -0.000000318
     15        1          -0.000004602    0.000002223   -0.000004485
     16        1          -0.000006729    0.000004905    0.000000035
     17        1           0.000001197    0.000002417   -0.000002102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063105 RMS     0.000010525
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.897563D+02 -0.136384D+00  0.418424D+00
      2  -0.136384D+00  0.778622D+02 -0.550555D+00
      3   0.418424D+00 -0.550555D+00  0.625098D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.217980D+01 -0.900664D+00 -0.434667D+01
      2   0.410253D+00  0.434961D+00  0.216440D+02
      3   0.625780D+01 -0.129228D+02 -0.837427D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.358439D+02 -0.210265D+02 -0.603726D+00
      2  -0.188989D+02  0.200227D+02 -0.477331D+01
      3  -0.169449D+02  0.100380D+01  0.537703D+01
      4  -0.937644D+01  0.273676D+02  0.204211D+01
      5   0.413368D+01  0.173424D+00  0.481079D+02
      6  -0.128767D+01 -0.347179D+01  0.104059D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.279058D+01 -0.144832D+01  0.944470D+00 -0.191122D+00 -0.469159D+01
      2  -0.144832D+01 -0.331769D+01  0.784513D-01 -0.469159D+01 -0.708882D+00
      3   0.944470D+00  0.784513D-01 -0.182859D+01  0.254930D+00  0.241899D+01
                 6             7             8             9            10 
      1   0.254930D+00  0.186746D+01  0.579069D+00 -0.232175D+01 -0.143524D+01
      2   0.241899D+01  0.579069D+00  0.358376D+01 -0.115875D+01  0.271340D+01
      3  -0.479054D+00 -0.232175D+01 -0.115875D+01 -0.717203D+01 -0.120424D+01
                11            12            13            14            15 
      1   0.271340D+01 -0.120424D+01  0.249643D+01  0.317213D+01  0.335483D+00
      2   0.391932D+01  0.333785D+00  0.317213D+01 -0.313971D+01 -0.156321D+01
      3   0.333785D+00 -0.438592D-01  0.335483D+00 -0.156321D+01 -0.957549D+00
                16            17            18            19            20 
      1  -0.251077D+01  0.385056D+00  0.844963D+00 -0.138864D+01 -0.221622D+01
      2   0.385056D+00 -0.199955D+01 -0.101393D+01 -0.221622D+01  0.488000D+01
      3   0.844963D+00 -0.101393D+01  0.107598D+02 -0.114223D+01  0.560441D+00
                21            22            23            24            25 
      1  -0.114223D+01 -0.179558D+01  0.263327D+01  0.764958D+00 -0.128518D+01
      2   0.560441D+00  0.263327D+01  0.196276D+01 -0.763996D+00  0.175591D+01
      3   0.237292D+01  0.764958D+00 -0.763996D+00 -0.225323D+01  0.277624D+01
                26            27            28            29            30 
      1   0.175591D+01  0.277624D+01  0.414009D+01  0.592228D+01 -0.971870D-02
      2  -0.129001D+00 -0.340553D+01  0.592228D+01 -0.507518D+01 -0.275415D+00
      3  -0.340553D+01  0.377560D+01 -0.971870D-02 -0.275415D+00 -0.661664D+00
                31            32            33            34            35 
      1   0.370322D+01 -0.302751D-02 -0.527861D+00  0.849183D+00 -0.975870D+00
      2  -0.302751D-02 -0.410372D+01 -0.247704D+00 -0.975870D+00 -0.387751D+00
      3  -0.527861D+00 -0.247704D+00 -0.937383D-01 -0.176805D+00  0.966812D-01
                36            37            38            39            40 
      1  -0.176805D+00  0.687077D+00 -0.375569D+01  0.486745D-01 -0.288330D+01
      2   0.966812D-01 -0.375569D+01  0.190345D+01  0.548812D+00 -0.465500D+00
      3   0.214653D-01  0.486745D-01  0.548812D+00 -0.275920D+00  0.451077D+00
                41            42            43            44            45 
      1  -0.465500D+00  0.451077D+00 -0.100948D+01  0.144322D+01 -0.789675D+00
      2   0.594012D+01  0.170155D+01  0.144322D+01  0.267779D+01  0.364815D+01
      3   0.170155D+01  0.290909D+01 -0.789675D+00  0.364815D+01 -0.459553D+01
                46            47            48            49            50 
      1  -0.942796D+00  0.125059D+01 -0.138233D+01  0.762465D+00 -0.850567D+00
      2   0.125059D+01 -0.166931D+01  0.695578D+00 -0.850567D+00  0.214017D+01
      3  -0.138233D+01  0.695578D+00 -0.127450D+01  0.382958D+00 -0.163268D+01
                51            52            53            54            55 
      1   0.382958D+00 -0.231160D+01  0.707523D+00 -0.212661D+01 -0.405326D+01
      2  -0.163268D+01  0.707523D+00 -0.322335D+01  0.331977D+01  0.277921D+01
      3   0.184844D+01 -0.212661D+01  0.331977D+01 -0.655937D+01  0.174806D+01
                56            57            58            59            60 
      1   0.277921D+01  0.174806D+01  0.209734D+01 -0.218488D+01 -0.824595D+00
      2  -0.348136D+01 -0.110843D+01 -0.218488D+01  0.402408D+01  0.165610D+01
      3  -0.110843D+01 -0.151233D+01 -0.824595D+00  0.165610D+01  0.156172D+01
                61            62            63            64            65 
      1   0.284940D+01 -0.186863D+01 -0.199060D+01 -0.148352D+02 -0.478375D+01
      2  -0.186863D+01  0.279848D+01  0.258414D+01 -0.478375D+01 -0.745362D+00
      3  -0.199060D+01  0.258414D+01  0.220245D+01  0.410693D+00  0.884406D-02
                66            67            68            69            70 
      1   0.410693D+00 -0.333480D+01 -0.433170D+01  0.114917D+00 -0.127566D+00
      2   0.884406D-02 -0.433170D+01 -0.239087D+01  0.107075D+00  0.290517D+00
      3  -0.143898D+01  0.114917D+00  0.107075D+00 -0.620212D+00 -0.381730D+01
                71            72            73            74            75 
      1   0.290517D+00 -0.381730D+01 -0.227807D+00 -0.816967D+00 -0.710271D+00
      2   0.166599D+00 -0.146534D+01 -0.816967D+00 -0.125380D+01 -0.325399D+00
      3  -0.146534D+01  0.296676D+00 -0.710271D+00 -0.325399D+00 -0.712045D-01
                76            77            78            79            80 
      1  -0.145653D+01 -0.117925D+00 -0.657316D-01 -0.842378D+00 -0.300107D+00
      2  -0.117925D+00 -0.795127D+01 -0.245763D+01 -0.300107D+00 -0.419354D+01
      3  -0.657316D-01 -0.245763D+01 -0.198732D+01  0.194924D+00 -0.278609D+01
                81            82            83            84            85 
      1   0.194924D+00  0.891489D+00 -0.127111D+00  0.109373D+01 -0.128406D+00
      2  -0.278609D+01 -0.127111D+00 -0.390589D-02 -0.261684D+00  0.577681D+00
      3  -0.181159D+01  0.109373D+01 -0.261684D+00  0.843723D+00 -0.318253D+00
                86            87            88            89            90 
      1   0.577681D+00 -0.318253D+00  0.272009D+01 -0.577286D+00  0.843508D+00
      2  -0.252136D+01  0.156774D+01 -0.577286D+00  0.275135D+01 -0.320246D+01
      3   0.156774D+01 -0.161299D+01  0.843508D+00 -0.320246D+01  0.642632D+01
                91            92            93            94            95 
      1   0.269232D+01  0.266240D+01 -0.840554D+00  0.236449D+01  0.307800D+01
      2   0.266240D+01  0.347077D+01 -0.533048D+00  0.307800D+01  0.691797D+01
      3  -0.840554D+00 -0.533048D+00  0.889317D+00 -0.562063D+00 -0.156256D+01
                96            97            98            99           100 
      1  -0.562063D+00 -0.172915D+01 -0.119435D+01  0.117001D+01  0.384124D+00
      2  -0.156256D+01 -0.119435D+01 -0.287009D+01  0.171116D+01  0.354911D+00
      3   0.119831D+01  0.117001D+01  0.171116D+01 -0.538254D+00  0.121678D+01
               101           102           103           104           105 
      1   0.354911D+00  0.121678D+01  0.105310D+00  0.835886D+00  0.100830D+00
      2   0.662056D+00  0.407012D+00  0.835886D+00  0.777440D+00  0.856589D+00
      3   0.407012D+00  0.123288D+01  0.100830D+00  0.856589D+00  0.144168D+00
               106           107           108           109           110 
      1   0.211506D+01  0.928306D-01  0.170899D+01  0.387609D+00 -0.345681D+01
      2   0.928306D-01  0.153259D+01  0.199004D+01 -0.345681D+01 -0.373500D+01
      3   0.170899D+01  0.199004D+01  0.792454D+01  0.234472D+01 -0.200045D+00
               111           112           113           114           115 
      1   0.234472D+01 -0.399755D+01 -0.521612D+01 -0.174656D+00  0.304420D+01
      2  -0.200045D+00 -0.521612D+01  0.328891D+01  0.288139D+01 -0.406736D+00
      3  -0.360695D+00 -0.174656D+00  0.288139D+01  0.955603D+00 -0.155735D+01
               116           117           118           119           120 
      1  -0.406736D+00 -0.155735D+01  0.860529D+00 -0.293511D+00 -0.117967D+01
      2   0.288176D+01  0.124161D+01 -0.293511D+00 -0.230630D+00 -0.318152D-01
      3   0.124161D+01 -0.737433D+01 -0.117967D+01 -0.318152D-01  0.380135D+00
               121           122           123           124           125 
      1  -0.400497D+00 -0.231246D+00  0.589289D-02 -0.172891D+01 -0.248283D-01
      2  -0.231246D+00  0.448388D+00 -0.897957D+00 -0.248283D-01 -0.122352D+01
      3   0.589289D-02 -0.897957D+00  0.563099D+00  0.697132D+00  0.266967D+00
               126           127           128           129           130 
      1   0.697132D+00  0.144805D+00  0.195202D+00  0.725998D+00  0.188242D+00
      2   0.266967D+00  0.195202D+00  0.220050D+00  0.304180D-02  0.849880D+00
      3  -0.102316D+02  0.725998D+00  0.304180D-02  0.849457D-01 -0.905627D-01
               131           132           133           134           135 
      1   0.849880D+00 -0.905627D-01  0.253407D+01 -0.398703D+00  0.193979D+01
      2  -0.689202D+00  0.701650D+00 -0.398703D+00  0.115508D+01 -0.888843D+00
      3   0.701650D+00 -0.512035D+00  0.193979D+01 -0.888843D+00  0.797050D+01
               136           137           138           139           140 
      1   0.741648D+01  0.269278D+01 -0.118796D+01  0.572078D+01  0.317521D+01
      2   0.269278D+01  0.228160D+01 -0.469661D+00  0.317521D+01  0.279626D+01
      3  -0.118796D+01 -0.469661D+00  0.108259D+01 -0.595935D+00 -0.914672D+00
               141           142           143           144           145 
      1  -0.595935D+00 -0.242692D+01 -0.587073D+00  0.144651D+01  0.248786D+01
      2  -0.914672D+00 -0.587073D+00 -0.119623D+01  0.597592D+00 -0.167239D+01
      3   0.971772D+00  0.144651D+01  0.597592D+00 -0.346408D+00 -0.876147D+00
               146           147           148           149           150 
      1  -0.167239D+01 -0.876147D+00 -0.325050D+01  0.377051D+01  0.748611D+00
      2   0.217499D+01  0.569528D+00  0.377051D+01 -0.679109D+01 -0.185068D+01
      3   0.569528D+00  0.581235D+00  0.748611D+00 -0.185068D+01 -0.163607D+01
               151           152           153 
      1  -0.200751D+01  0.107945D+01  0.115802D+01
      2   0.107945D+01 -0.232439D+01 -0.153518D+01
      3   0.115802D+01 -0.153518D+01 -0.748197D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.243847D+01 -0.103549D+01  0.207162D+01  0.144360D+00 -0.590774D+01
      2   0.142308D+01  0.279564D+01  0.370358D+00  0.318695D+01  0.358204D+01
      3   0.119034D+02  0.148855D+00  0.143100D+01  0.707869D+01 -0.566146D+01
                 6             7             8             9            10 
      1  -0.915735D+00  0.142613D+01  0.626910D+01  0.865890D+01  0.106594D+01
      2  -0.860882D+00 -0.657883D+01 -0.308372D+01 -0.412134D+01 -0.457055D+01
      3  -0.144023D+01  0.130586D+01 -0.285940D+01 -0.255543D+01 -0.691853D+01
                11            12            13            14            15 
      1  -0.434500D+00 -0.363169D+00 -0.224559D+01  0.563518D+00 -0.218137D+01
      2   0.126835D+01  0.234157D+01  0.339184D-01 -0.163645D+01 -0.102074D+01
      3  -0.964998D+01 -0.185150D+00 -0.325482D+01  0.421777D+01  0.297436D+01
                16            17            18            19            20 
      1   0.972936D+00  0.456134D+01  0.902754D+00  0.508983D+01 -0.255761D+01
      2  -0.547415D+01  0.605782D+00  0.113355D+02  0.246611D+01 -0.220115D+01
      3  -0.119813D+01  0.312759D+01  0.161566D+01 -0.130396D+02  0.390794D+01
                21            22            23            24            25 
      1  -0.500415D+01 -0.196853D+01  0.254665D+01 -0.720604D+00 -0.200149D+01
      2  -0.232749D+01 -0.253511D+01  0.182626D+01  0.459137D+01 -0.721226D+01
      3  -0.181726D+01  0.716238D+01  0.511053D+01  0.958322D+00 -0.184608D+01
                26            27            28            29            30 
      1   0.109218D+02 -0.587350D+01 -0.674420D+01 -0.437022D+00  0.231756D+01
      2   0.651014D+01 -0.488920D+01 -0.218655D+01 -0.186173D+01 -0.812861D+01
      3   0.264081D+01 -0.705554D+00  0.697079D+01 -0.546799D+01  0.790247D-01
                31            32            33            34            35 
      1  -0.279860D+01 -0.493341D+00  0.347788D+01 -0.535340D+01  0.241571D+02
      2  -0.931501D+00 -0.762674D+00 -0.231974D+01 -0.157001D+02  0.448320D+01
      3   0.106840D+01 -0.298356D+01 -0.242467D+00 -0.509450D+00 -0.100610D+01
                36            37            38            39            40 
      1  -0.340993D+00  0.938129D+00  0.220722D+01  0.946715D+00  0.266120D+01
      2   0.653775D+00 -0.206953D+00  0.613078D+00  0.379624D+01  0.924894D-01
      3  -0.188075D+00 -0.394638D+01  0.376236D+01 -0.854420D-01  0.975778D+01
                41            42            43            44            45 
      1   0.739888D+01  0.235634D+01 -0.504580D+01  0.822817D+01 -0.669144D+01
      2   0.383517D+00 -0.201381D+01 -0.526357D+01 -0.520774D+00 -0.296139D+00
      3   0.604362D+01 -0.195931D+01  0.130331D+01 -0.368675D+01  0.187985D+01
                46            47            48            49            50 
      1   0.107423D+01 -0.279822D+01  0.308891D+01 -0.231094D+01  0.799264D+00
      2   0.176795D+01 -0.986903D+00  0.311734D+01 -0.526088D+00  0.192841D+01
      3   0.129258D+01 -0.149906D+01 -0.795029D+00  0.209164D+01  0.479857D+00
                51            52            53            54            55 
      1  -0.338490D+01  0.342802D+01 -0.580479D+01  0.113455D+02 -0.255647D+01
      2  -0.241280D+01  0.762163D+00 -0.566043D+01  0.932625D+01 -0.217986D+01
      3  -0.932017D+00 -0.311335D+01 -0.328689D+01  0.802373D+00 -0.253369D+01
                56            57            58            59            60 
      1   0.489580D+01  0.357401D+01  0.289985D+01 -0.343951D+01 -0.415010D+01
      2   0.283857D+01  0.385372D+01  0.129926D+01 -0.334689D+01 -0.307865D+01
      3  -0.292589D+01  0.999351D+00  0.325034D+01  0.112640D+01  0.222859D+00
                61            62            63            64            65 
      1   0.397934D+01 -0.440956D+01 -0.474856D+01  0.366371D+01 -0.221459D+00
      2   0.169524D+01 -0.446170D+01 -0.388844D+01  0.514029D+00  0.235845D+00
      3   0.299096D+01  0.183673D+01  0.201871D+00  0.109748D+01 -0.126907D+02
                66            67            68            69            70 
      1  -0.327126D+01  0.849940D+00  0.822580D+00 -0.341126D+01  0.196191D+01
      2   0.129446D+02  0.889580D+00  0.530827D+00  0.441907D+01  0.553158D+01
      3   0.265180D+00 -0.162182D+01 -0.685645D+01  0.310644D+00  0.143896D+01
                71            72            73            74            75 
      1  -0.543137D+01  0.556128D+00  0.899471D+00 -0.104261D+01 -0.409855D+00
      2  -0.509595D+00 -0.639502D+00  0.114720D+01 -0.574719D+00  0.640147D+00
      3   0.117692D+01 -0.869770D+00  0.556312D+00 -0.214890D+01  0.341631D+00
                76            77            78            79            80 
      1   0.177695D+01 -0.622266D+01 -0.583046D+01  0.882594D+00 -0.450248D+01
      2   0.137474D+00 -0.751800D+00  0.220419D+00 -0.159648D+01 -0.216356D+00
      3   0.471328D+01 -0.448881D+00  0.134134D+00  0.253510D+01  0.308517D+00
                81            82            83            84            85 
      1  -0.404700D+01 -0.485869D+00  0.181336D+00  0.316738D+00 -0.185727D+00
      2   0.299121D-01 -0.234666D+01  0.135870D+00  0.682302D+00  0.263183D-01
      3  -0.481749D+00 -0.166956D+01 -0.202880D+01 -0.500050D+00  0.119607D+01
                86            87            88            89            90 
      1   0.240528D+01 -0.415369D+01  0.416347D+01 -0.497871D+01  0.113250D+02
      2  -0.573163D-01  0.365964D+00 -0.176501D+01 -0.531950D+00 -0.398499D+00
      3  -0.944147D+00  0.712129D+00 -0.431519D+01  0.124246D+01 -0.174303D+01
                91            92            93            94            95 
      1   0.118848D+01  0.822031D+00 -0.230621D+01  0.109591D+01  0.261725D+01
      2  -0.114733D+01 -0.141865D+01  0.195586D+01 -0.115496D+01 -0.258283D+01
      3   0.321461D+01 -0.660062D+00 -0.922389D+00  0.486807D+01 -0.108862D+01
                96            97            98            99           100 
      1  -0.408135D+01 -0.157868D+01 -0.127475D+01  0.151782D+01 -0.128746D+01
      2   0.219865D+01  0.314897D+00  0.213097D+01 -0.139891D+01  0.669008D-02
      3   0.157572D+00 -0.281748D+01  0.143190D+01  0.606502D+00  0.638189D-01
               101           102           103           104           105 
      1   0.890892D+00 -0.192461D+01 -0.785919D-01 -0.929888D+00 -0.149772D+01
      2   0.148425D-01  0.164408D+01 -0.146929D+00 -0.229622D+00 -0.721713D-01
      3  -0.164272D+01  0.147106D+01  0.256456D+00  0.102755D+01 -0.283999D+00
               106           107           108           109           110 
      1  -0.265130D+01  0.628904D+00 -0.117199D+02 -0.485891D+00 -0.139949D+01
      2  -0.261080D+01  0.141829D+01  0.490509D+01  0.968340D+01 -0.412726D+00
      3   0.382347D+01 -0.163498D+01  0.161260D+01  0.107228D+02  0.117875D+02
               111           112           113           114           115 
      1  -0.268969D-01 -0.160095D+01  0.262896D+01 -0.885101D-01 -0.207966D+01
      2  -0.601319D+00 -0.128815D+00  0.906170D+01  0.249353D+01 -0.852566D+01
      3  -0.888216D+00  0.224677D+02 -0.783226D+01 -0.849395D+01 -0.282137D+00
               116           117           118           119           120 
      1   0.301899D+01 -0.349497D+01  0.107897D+00  0.371025D+00  0.347169D+00
      2   0.385748D+01 -0.189706D+02 -0.510715D+00 -0.530104D+00  0.133451D+01
      3  -0.861868D+01 -0.278973D+01  0.106324D+01 -0.477989D+00  0.198957D+00
               121           122           123           124           125 
      1   0.739857D+00 -0.674907D+00 -0.352531D+00 -0.217732D+00  0.361717D+01
      2   0.202710D+00 -0.128971D+01  0.454081D+00 -0.374382D+01  0.469864D+00
      3   0.239134D+01 -0.974985D+00  0.136469D+01 -0.123156D+00  0.191890D+01
               126           127           128           129           130 
      1  -0.103578D+01  0.585311D+00  0.196264D-01  0.280057D+00  0.541909D-01
      2  -0.109284D+02  0.214007D+01 -0.213928D+00  0.190326D+01 -0.929600D-01
      3  -0.458651D+00 -0.465990D+00 -0.150845D+01 -0.269523D+00 -0.109147D+01
               131           132           133           134           135 
      1   0.341160D-01 -0.109196D+01  0.764117D+00  0.300265D+01  0.426739D+01
      2   0.144292D+01 -0.164924D+01  0.952506D+00 -0.223566D+01  0.223379D+02
      3   0.126820D+01 -0.148331D+01 -0.486440D+00 -0.348531D+01  0.164998D+01
               136           137           138           139           140 
      1   0.157367D+00 -0.785816D-02 -0.659868D+00  0.178831D-01 -0.461442D+00
      2  -0.341928D+01 -0.170155D+01  0.508337D+01 -0.188373D+01 -0.288381D+01
      3  -0.111701D+02 -0.108716D+02  0.212045D+01 -0.945788D+01 -0.108333D+02
               141           142           143           144           145 
      1  -0.136393D+01  0.435234D+00  0.115256D+01  0.184453D+00 -0.772004D+00
      2   0.434639D+01  0.289811D+01  0.174919D+01 -0.114137D+01 -0.237190D+01
      3   0.312036D+01  0.245599D+01  0.425965D+01 -0.203419D+01  0.292726D+01
               146           147           148           149           150 
      1   0.546327D+00  0.102323D+01  0.740043D+00 -0.141146D+01 -0.386459D+01
      2   0.172372D+01  0.264457D+01  0.153139D+01 -0.521456D+01 -0.566143D+01
      3  -0.696455D+01 -0.116822D+01 -0.600024D+01  0.182810D+02  0.509062D+01
               151           152           153 
      1   0.845897D+00 -0.226154D+00 -0.108116D+01
      2   0.144028D+01 -0.393593D+01 -0.212641D+01
      3  -0.116224D+01  0.663465D+01  0.345733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.343411D+01  0.620027D+01  0.210828D+01  0.400937D+01 -0.439443D+01
      2  -0.283306D+01 -0.135824D+02  0.181199D+01 -0.123269D+02 -0.534679D+01
      3  -0.601052D+00  0.738214D+01 -0.392027D+01  0.831756D+01  0.974123D+01
      4  -0.968363D+00 -0.121264D+02  0.219647D+01 -0.117203D+02 -0.127818D+02
      5   0.308402D+01  0.377163D+01 -0.328041D+01  0.348496D+01  0.455464D+01
      6   0.403627D+01  0.200941D+01 -0.535420D+01  0.310197D+01  0.122057D+02
                 6             7             8             9            10 
      1  -0.324964D+01  0.313833D+01 -0.304094D+01  0.650540D+01 -0.152652D+02
      2   0.880739D+01  0.387043D+01  0.111621D+02  0.223808D+01  0.579769D+01
      3  -0.555776D+01 -0.700876D+01 -0.812118D+01 -0.874348D+01  0.946755D+01
      4   0.480541D+01  0.226273D+01  0.881282D+01 -0.104722D+02  0.868046D+01
      5  -0.200961D+01 -0.318777D+01 -0.538694D+01 -0.109920D+02 -0.831392D+01
      6  -0.128909D+01 -0.744048D+01 -0.469696D+01 -0.166482D+02 -0.156204D+00
                11            12            13            14            15 
      1   0.660166D+01 -0.415459D+01  0.111644D+02  0.119757D+02  0.187970D+01
      2  -0.494315D+00  0.231846D+01 -0.426108D+01 -0.546942D+01 -0.215233D+01
      3  -0.610735D+01  0.183613D+01 -0.690331D+01 -0.650632D+01  0.272628D+00
      4   0.165510D+01  0.163904D+01  0.964374D+01 -0.490322D+01 -0.212182D+01
      5   0.214578D+01 -0.226510D+01  0.105751D+01 -0.256474D+01 -0.163976D+01
      6  -0.566533D+00  0.115580D+01 -0.145699D+01 -0.718978D+00  0.802973D+00
                16            17            18            19            20 
      1  -0.101324D+02  0.229019D+01  0.879812D+01 -0.490812D+00 -0.405782D+01
      2   0.276094D+01 -0.318241D+01  0.976558D+01 -0.174890D+01  0.878860D+01
      3   0.737145D+01  0.892220D+00 -0.185637D+02  0.223971D+01 -0.473079D+01
      4   0.585788D+00 -0.357136D+01 -0.147222D+01  0.634502D+01 -0.160644D+02
      5   0.421408D+01 -0.142252D+01  0.255213D+02  0.312708D+01 -0.552505D+01
      6  -0.300926D+00  0.555436D+01 -0.597957D+00 -0.546499D+01  0.370296D+01
                21            22            23            24            25 
      1   0.239048D+01  0.416483D+01 -0.599862D+01 -0.112993D+01 -0.620268D-02
      2   0.264926D+01  0.451749D+00  0.121292D+02 -0.307024D+01  0.347605D+01
      3  -0.503974D+01 -0.461658D+01 -0.613061D+01  0.420017D+01 -0.346985D+01
      4  -0.404168D+01 -0.148423D+01  0.877302D+01  0.197454D+01 -0.621895D+01
      5  -0.785092D+01 -0.495892D+01  0.259010D+01  0.833592D+01 -0.812502D+01
      6   0.876974D+01  0.417441D+01 -0.471339D+01 -0.553770D+01  0.100733D+02
                26            27            28            29            30 
      1  -0.558636D+01  0.822282D+01 -0.448753D+02 -0.893617D+01 -0.121302D+00
      2  -0.326686D+01 -0.436426D+01  0.243075D+02 -0.420681D+00 -0.223161D+00
      3   0.885322D+01 -0.385856D+01  0.205678D+02  0.935686D+01  0.344462D+00
      4  -0.497672D+00  0.179369D+02 -0.266584D+02 -0.129197D+02  0.125785D+01
      5   0.130658D+02 -0.744616D+01  0.204878D+01  0.153938D+01 -0.116295D+02
      6  -0.168817D+02  0.130609D+02 -0.126936D+01 -0.740420D+00 -0.408284D+01
                31            32            33            34            35 
      1  -0.183407D+02 -0.654620D+00 -0.980168D-01  0.980642D+00  0.790050D+00
      2   0.118215D+02 -0.433264D+01 -0.362549D+00 -0.135036D+01  0.977986D+00
      3   0.651921D+01  0.498726D+01  0.460566D+00  0.369714D+00 -0.176804D+01
      4  -0.649385D+01  0.142647D+00  0.137629D+00  0.222126D+01  0.100787D+01
      5   0.210254D+01 -0.253194D+00 -0.341176D+01  0.348863D+01 -0.154941D+01
      6  -0.171963D+01  0.247429D+01 -0.303753D+01 -0.145632D+01  0.566507D+01
                36            37            38            39            40 
      1  -0.992114D+01  0.348438D+01  0.121313D+00  0.248709D+01 -0.125570D+02
      2  -0.162801D+01  0.185711D+01 -0.341503D+01 -0.251760D+01  0.601058D+01
      3   0.115491D+02 -0.534149D+01  0.329371D+01  0.305184D-01  0.654645D+01
      4  -0.382963D+01 -0.413160D+00  0.404937D+01 -0.441639D+00 -0.174440D+01
      5   0.187012D+01  0.308791D+00 -0.815074D+00  0.223619D+01 -0.250895D+00
      6  -0.981362D+00  0.183922D+01 -0.297686D+01  0.394607D+00 -0.149569D+01
                41            42            43            44            45 
      1   0.974704D+01  0.110730D+01  0.105477D+02 -0.131423D+01  0.150414D+02
      2  -0.117663D+02 -0.642042D+01 -0.513352D+01 -0.526096D+01 -0.927629D+01
      3   0.201927D+01  0.531312D+01 -0.541418D+01  0.657520D+01 -0.576507D+01
      4  -0.631195D+01 -0.136341D+01  0.290182D+01 -0.151569D+01  0.385048D+01
      5  -0.142716D+01 -0.174131D+01 -0.309526D+01  0.190192D+01 -0.429624D+01
      6  -0.122207D+02 -0.919515D+01  0.582656D+01 -0.168323D+02  0.116808D+02
                46            47            48            49            50 
      1   0.903979D+00  0.174793D+00  0.136335D+01  0.120276D+01 -0.770966D+01
      2  -0.114821D+01 -0.168558D+01 -0.189002D+01 -0.259769D+01  0.813884D+01
      3   0.244232D+00  0.151079D+01  0.526664D+00  0.139493D+01 -0.429180D+00
      4  -0.669623D+01  0.999355D+01 -0.566248D+01  0.523930D+01 -0.842753D+01
      5   0.612374D+01 -0.346528D+01  0.859185D+01 -0.101489D+01  0.423862D+01
      6  -0.484940D+01  0.348621D+01 -0.469267D+01  0.322587D+01 -0.795598D+01
                51            52            53            54            55 
      1   0.517853D+01  0.211345D+01  0.992055D+01 -0.129866D+02  0.838444D+01
      2  -0.446567D+01 -0.339964D+01 -0.559404D+01 -0.208965D+01  0.251264D+00
      3  -0.712854D+00  0.128619D+01 -0.432651D+01  0.150763D+02 -0.863571D+01
      4   0.534524D+01 -0.766921D+01  0.107322D+02 -0.137156D+02 -0.182410D+02
      5  -0.430740D+01  0.948617D+01 -0.100914D+02  0.181453D+02 -0.913951D+01
      6   0.104325D+02 -0.774311D+01  0.172992D+02 -0.240195D+02  0.717223D+01
                56            57            58            59            60 
      1  -0.912436D+00 -0.243483D+01  0.127265D+01 -0.772639D+01 -0.231760D+01
      2  -0.630884D+01 -0.221040D+00 -0.673079D+01  0.153542D+02  0.528784D+01
      3   0.722128D+01  0.265587D+01  0.545814D+01 -0.762782D+01 -0.297024D+01
      4   0.202706D+02  0.792842D+01  0.130805D+02 -0.177857D+02 -0.697683D+01
      5   0.625680D+01  0.834671D+01  0.431916D+01 -0.680974D+01 -0.565677D+01
      6  -0.656141D+01 -0.627188D+01 -0.538487D+01  0.948871D+01  0.886867D+01
                61            62            63            64            65 
      1  -0.251942D+01 -0.365441D+01 -0.442403D+01  0.908492D+02  0.172199D+02
      2  -0.596287D-01  0.706877D+01  0.224464D+01 -0.490949D+02 -0.438283D+01
      3   0.257905D+01 -0.341436D+01  0.217939D+01 -0.417544D+02 -0.128371D+02
      4   0.112435D+02 -0.116450D+02 -0.115300D+02  0.397707D+02  0.274173D+02
      5   0.962371D+01 -0.968402D+01 -0.934165D+01 -0.339471D+01 -0.120637D+01
      6  -0.820726D+01  0.135192D+02  0.100162D+02  0.154674D+01  0.543835D+00
                66            67            68            69            70 
      1  -0.142861D+01  0.181643D+02  0.112692D+02  0.170090D+00 -0.210675D+01
      2   0.131713D+01 -0.597037D+01  0.514760D+00 -0.328300D+00  0.224471D+01
      3   0.111488D+00 -0.121939D+02 -0.117840D+02  0.158210D+00 -0.137964D+00
      4  -0.585867D+00  0.295915D+02  0.209167D+02 -0.284532D+00 -0.671877D+00
      5   0.219126D+02 -0.107033D+01 -0.585399D+00  0.703556D+01  0.256531D+02
      6   0.569254D+01  0.715406D+00 -0.105271D+01  0.616036D+01  0.591367D+01
                71            72            73            74            75 
      1   0.254975D-01  0.131003D+02  0.550090D+00 -0.207970D+01 -0.842791D+00
      2  -0.853371D-01 -0.106021D+02  0.124944D+01  0.370211D+01  0.744002D+00
      3   0.598397D-01 -0.249825D+01 -0.179953D+01 -0.162241D+01  0.987895D-01
      4  -0.311298D+00  0.921679D+01  0.188611D+01  0.968704D+01  0.262415D+01
      5   0.766638D+01 -0.247115D+01  0.742265D+00  0.168478D+01  0.269099D+01
      6   0.724402D+01 -0.855336D-02  0.246033D+01  0.163017D+01  0.516737D+00
                76            77            78            79            80 
      1   0.203607D+01 -0.249097D+02 -0.757520D+01 -0.116270D+01 -0.105465D+02
      2  -0.836652D+00  0.355780D+02  0.983712D+01  0.724088D+00  0.120015D+02
      3  -0.119942D+01 -0.106682D+02 -0.226193D+01  0.438608D+00 -0.145502D+01
      4   0.564042D+01  0.184448D+01  0.953688D+00  0.352898D+01  0.126104D+01
      5   0.136238D+01  0.136180D+01  0.724571D+00  0.224120D+01  0.792344D+00
      6   0.211795D+00  0.164059D+02  0.115529D+02 -0.104079D+01  0.155640D+02
                81            82            83            84            85 
      1  -0.104102D+02 -0.539415D+00 -0.385113D+00 -0.670001D+00  0.257797D+01
      2   0.704115D+01 -0.132589D+01 -0.938790D-01  0.229183D+00 -0.254622D+01
      3   0.336903D+01  0.186531D+01  0.478992D+00  0.440818D+00 -0.317452D-01
      4   0.116421D+00 -0.295514D+01  0.380130D+01 -0.356540D+01  0.233022D+01
      5   0.117918D+01  0.729026D+00 -0.205312D+01  0.475811D+01 -0.781634D+00
      6   0.102643D+02 -0.319879D+01  0.744165D+00 -0.158590D+01  0.113177D+01
                86            87            88            89            90 
      1  -0.109930D+02  0.578966D+01 -0.309989D+01  0.115290D+02 -0.189249D+02
      2   0.105166D+02 -0.422602D+01  0.270884D+00 -0.632469D+01  0.163912D+01
      3   0.476432D+00 -0.156364D+01  0.282901D+01 -0.520434D+01  0.172858D+02
      4  -0.185753D+01  0.928138D+00 -0.557696D+01  0.124462D+01 -0.239484D+01
      5   0.100542D+01  0.674158D-02  0.439408D+01 -0.142185D+01  0.201142D+01
      6  -0.713588D+01  0.986818D+01 -0.448715D+01  0.154149D+02 -0.215357D+02
                91            92            93            94            95 
      1   0.141353D+01 -0.298609D+01 -0.466507D+00 -0.335702D+01 -0.153562D+02
      2   0.628046D+01  0.116545D+02 -0.162766D+01  0.113076D+02  0.330813D+02
      3  -0.769399D+01 -0.866846D+01  0.209417D+01 -0.795063D+01 -0.177251D+02
      4   0.136968D+02  0.176741D+02 -0.402251D+01  0.162434D+02  0.229442D+02
      5  -0.361003D+01 -0.254187D+01  0.361378D+01 -0.231028D+01 -0.422312D+01
      6  -0.397320D+01 -0.354908D+01  0.383198D+01 -0.345606D+01 -0.930223D+01
                96            97            98            99           100 
      1   0.320939D+01 -0.583702D+00  0.578707D+01 -0.450290D+01  0.312958D+00
      2  -0.674826D+01 -0.218774D+01 -0.104625D+02  0.394023D+01 -0.241309D+01
      3   0.353887D+01  0.277145D+01  0.467544D+01  0.562663D+00  0.210013D+01
      4  -0.507802D+01 -0.701501D+01 -0.904892D+01  0.640766D+01  0.267582D+01
      5   0.304347D+01  0.428229D+01  0.463801D+01 -0.288275D+01  0.410759D+01
      6   0.746592D+01  0.549887D+01  0.995724D+01 -0.506790D+01  0.306032D+01
               101           102           103           104           105 
      1  -0.937900D+00  0.421670D+00 -0.201393D+01 -0.331052D+01 -0.290386D+01
      2   0.217917D+01 -0.226104D+01  0.316926D+01  0.291461D+01  0.249135D+01
      3  -0.124127D+01  0.183937D+01 -0.115533D+01  0.395904D+00  0.412503D+00
      4   0.480837D+01  0.341000D+01  0.309806D+01  0.330905D+01  0.157795D+01
      5   0.129282D+01  0.786751D+01 -0.383228D+00  0.128955D+01 -0.116566D+00
      6   0.155306D+01  0.319258D+01  0.104469D+01  0.305012D+01  0.631944D+01
               106           107           108           109           110 
      1   0.370585D+00 -0.604420D+01 -0.153204D+02  0.100116D+01 -0.207623D+02
      2  -0.356520D+01  0.314406D+01 -0.785503D+01 -0.193830D+01  0.141650D+02
      3   0.319461D+01  0.290014D+01  0.231754D+02  0.937140D+00  0.659725D+01
      4   0.514103D+01  0.384506D+01  0.767690D+01 -0.221368D+02 -0.210128D+02
      5   0.694174D+01  0.377493D+01  0.130429D+02  0.179710D+02 -0.139518D+01
      6   0.577993D+01  0.990824D+01  0.230325D+02 -0.221928D+01  0.310609D+01
               111           112           113           114           115 
      1   0.123126D+02 -0.286404D+02 -0.209059D+02  0.214859D+01  0.167946D+02
      2  -0.483089D+01  0.203186D+02  0.301636D+01 -0.526318D+01 -0.417118D+01
      3  -0.748171D+01  0.832172D+01  0.178895D+02  0.311459D+01 -0.126234D+02
      4  -0.144671D+01 -0.311809D+02  0.183087D+02  0.162873D+02 -0.173324D+01
      5  -0.279948D+01 -0.120364D+01  0.175592D+02  0.451849D+01 -0.774834D+01
      6   0.332801D+00  0.394684D+01 -0.546962D+01 -0.247485D+01  0.192090D+01
               116           117           118           119           120 
      1   0.127885D+01  0.156891D+01  0.383495D+01 -0.115790D+01 -0.273213D+01
      2  -0.525855D+01  0.552092D+01 -0.565580D+01  0.430016D+00  0.135976D+01
      3   0.397970D+01 -0.708983D+01  0.182085D+01  0.727886D+00  0.137237D+01
      4   0.164296D+02  0.578808D+01 -0.110469D+01  0.191738D+01 -0.154876D+00
      5   0.610512D+01 -0.340295D+02 -0.239891D+01 -0.549294D+00  0.860972D+01
      6  -0.343486D+01  0.728898D+01 -0.242516D+00 -0.162657D+00 -0.379972D-01
               121           122           123           124           125 
      1  -0.512725D+00 -0.505912D+01  0.842298D+00 -0.408274D+01  0.136480D+01
      2  -0.125427D+00  0.722599D+00  0.616928D+00  0.475214D+01 -0.995958D-01
      3   0.638152D+00  0.433652D+01 -0.145923D+01 -0.669393D+00 -0.126521D+01
      4   0.169890D+01  0.107786D+01 -0.192124D+01  0.104134D+01 -0.219051D+01
      5  -0.563382D+00 -0.249783D+01  0.135163D+01  0.655775D+01  0.666058D+00
      6  -0.401768D+00 -0.401472D+00  0.819422D+01 -0.896062D-01  0.404407D+01
               126           127           128           129           130 
      1  -0.198602D+02  0.254571D+01  0.126357D+01  0.472058D+01  0.209855D+01
      2  -0.185300D+02 -0.321753D+01 -0.816116D+00 -0.314437D+01 -0.183259D+01
      3   0.383902D+02  0.671815D+00 -0.447454D+00 -0.157621D+01 -0.265968D+00
      4   0.140371D+01  0.106531D+01  0.308744D+01 -0.126211D+01  0.629411D+01
      5  -0.230546D+02  0.376575D+01 -0.651972D+00  0.700150D+01 -0.577505D+00
      6   0.930294D-01 -0.102850D+01 -0.693775D+00 -0.562726D+00  0.775914D+00
               131           132           133           134           135 
      1   0.108611D+01  0.601348D+00  0.112319D+02  0.125471D+00 -0.519396D+01
      2  -0.211413D+00 -0.179538D+00 -0.939839D+01  0.221122D+00 -0.135799D+02
      3  -0.874697D+00 -0.421810D+00 -0.183355D+01 -0.346593D+00  0.187739D+02
      4  -0.383421D+01  0.304600D+01 -0.373169D+01  0.608136D+01 -0.431586D+01
      5   0.284715D+01 -0.307436D+01  0.148458D+02 -0.469399D+01  0.420904D+02
      6  -0.118926D+01  0.566706D+01 -0.228414D+01  0.584996D+01 -0.960900D+01
               136           137           138           139           140 
      1   0.493866D+02  0.185927D+02 -0.784135D+01  0.318477D+02  0.155214D+02
      2  -0.259570D+02 -0.101774D+02  0.446465D+01 -0.161015D+02 -0.467505D+01
      3  -0.234296D+02 -0.841531D+01  0.337670D+01 -0.157462D+02 -0.108464D+02
      4   0.178414D+02  0.173171D+02 -0.316337D+01  0.225184D+02  0.190984D+02
      5  -0.886539D+01 -0.342788D+01  0.920878D+01 -0.494462D+01 -0.584022D+01
      6  -0.295487D+00 -0.104131D-01  0.172353D+00 -0.818267D+00 -0.382980D+00
               141           142           143           144           145 
      1  -0.378417D+01 -0.129972D+02 -0.320035D+01  0.594894D+01  0.147448D+02
      2   0.252467D+01  0.756373D+01  0.263312D+01 -0.535762D+01 -0.424841D+01
      3   0.125949D+01  0.543348D+01  0.567234D+00 -0.591320D+00 -0.104964D+02
      4  -0.581631D+01 -0.414836D+01 -0.721100D+01  0.401324D+01 -0.129242D+02
      5   0.750093D+01  0.117418D+02  0.464768D+01 -0.382798D+01 -0.586711D+01
      6   0.214125D+01  0.141363D+01  0.274148D+01 -0.195697D+01  0.258261D+01
               146           147           148           149           150 
      1  -0.814065D+01 -0.455403D+01 -0.130259D+02  0.551057D+01  0.498530D+00
      2   0.548538D+00  0.154240D+01  0.680149D-01  0.136514D+02  0.291713D+01
      3   0.759211D+01  0.301163D+01  0.129579D+02 -0.191620D+02 -0.341566D+01
      4   0.183068D+02  0.474016D+01  0.270015D+02 -0.406494D+02 -0.110753D+02
      5   0.438936D+01  0.549747D+01  0.573278D+01 -0.112451D+02 -0.105598D+02
      6  -0.151477D+01 -0.147091D+01 -0.317698D+01  0.636789D+01  0.657063D+01
               151           152           153 
      1  -0.876518D+01  0.642524D+00  0.685249D+00
      2   0.332374D+01  0.269329D+01 -0.780076D+00
      3   0.544144D+01 -0.333581D+01  0.948272D-01
      4   0.783888D+01 -0.134232D+02 -0.867975D+01
      5   0.844236D+01 -0.914446D+01 -0.510005D+01
      6  -0.351348D+01  0.694626D+01  0.443787D+01
 Leave Link  716 at Thu Jul  8 18:17:32 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.897563D+02 -0.136384D+00  0.418424D+00
      2  -0.136384D+00  0.778622D+02 -0.550555D+00
      3   0.418424D+00 -0.550555D+00  0.625098D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.217980D+01 -0.900664D+00 -0.434667D+01
      2   0.410253D+00  0.434961D+00  0.216440D+02
      3   0.625780D+01 -0.129228D+02 -0.837427D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.358439D+02 -0.210265D+02 -0.603726D+00
      2  -0.188989D+02  0.200227D+02 -0.477331D+01
      3  -0.169449D+02  0.100380D+01  0.537703D+01
      4  -0.937644D+01  0.273676D+02  0.204211D+01
      5   0.413368D+01  0.173424D+00  0.481079D+02
      6  -0.128767D+01 -0.347179D+01  0.104059D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.279058D+01 -0.144832D+01  0.944470D+00 -0.191122D+00 -0.469159D+01
      2  -0.144832D+01 -0.331769D+01  0.784513D-01 -0.469159D+01 -0.708882D+00
      3   0.944470D+00  0.784513D-01 -0.182859D+01  0.254930D+00  0.241899D+01
                 6             7             8             9            10 
      1   0.254930D+00  0.186746D+01  0.579069D+00 -0.232175D+01 -0.143524D+01
      2   0.241899D+01  0.579069D+00  0.358376D+01 -0.115875D+01  0.271340D+01
      3  -0.479054D+00 -0.232175D+01 -0.115875D+01 -0.717203D+01 -0.120424D+01
                11            12            13            14            15 
      1   0.271340D+01 -0.120424D+01  0.249643D+01  0.317213D+01  0.335483D+00
      2   0.391932D+01  0.333785D+00  0.317213D+01 -0.313971D+01 -0.156321D+01
      3   0.333785D+00 -0.438592D-01  0.335483D+00 -0.156321D+01 -0.957549D+00
                16            17            18            19            20 
      1  -0.251077D+01  0.385056D+00  0.844963D+00 -0.138864D+01 -0.221622D+01
      2   0.385056D+00 -0.199955D+01 -0.101393D+01 -0.221622D+01  0.488000D+01
      3   0.844963D+00 -0.101393D+01  0.107598D+02 -0.114223D+01  0.560441D+00
                21            22            23            24            25 
      1  -0.114223D+01 -0.179558D+01  0.263327D+01  0.764958D+00 -0.128518D+01
      2   0.560441D+00  0.263327D+01  0.196276D+01 -0.763996D+00  0.175591D+01
      3   0.237292D+01  0.764958D+00 -0.763996D+00 -0.225323D+01  0.277624D+01
                26            27            28            29            30 
      1   0.175591D+01  0.277624D+01  0.414009D+01  0.592228D+01 -0.971870D-02
      2  -0.129001D+00 -0.340553D+01  0.592228D+01 -0.507518D+01 -0.275415D+00
      3  -0.340553D+01  0.377560D+01 -0.971870D-02 -0.275415D+00 -0.661664D+00
                31            32            33            34            35 
      1   0.370322D+01 -0.302751D-02 -0.527861D+00  0.849183D+00 -0.975870D+00
      2  -0.302751D-02 -0.410372D+01 -0.247704D+00 -0.975870D+00 -0.387751D+00
      3  -0.527861D+00 -0.247704D+00 -0.937383D-01 -0.176805D+00  0.966812D-01
                36            37            38            39            40 
      1  -0.176805D+00  0.687077D+00 -0.375569D+01  0.486745D-01 -0.288330D+01
      2   0.966812D-01 -0.375569D+01  0.190345D+01  0.548812D+00 -0.465500D+00
      3   0.214653D-01  0.486745D-01  0.548812D+00 -0.275920D+00  0.451077D+00
                41            42            43            44            45 
      1  -0.465500D+00  0.451077D+00 -0.100948D+01  0.144322D+01 -0.789675D+00
      2   0.594012D+01  0.170155D+01  0.144322D+01  0.267779D+01  0.364815D+01
      3   0.170155D+01  0.290909D+01 -0.789675D+00  0.364815D+01 -0.459553D+01
                46            47            48            49            50 
      1  -0.942796D+00  0.125059D+01 -0.138233D+01  0.762465D+00 -0.850567D+00
      2   0.125059D+01 -0.166931D+01  0.695578D+00 -0.850567D+00  0.214017D+01
      3  -0.138233D+01  0.695578D+00 -0.127450D+01  0.382958D+00 -0.163268D+01
                51            52            53            54            55 
      1   0.382958D+00 -0.231160D+01  0.707523D+00 -0.212661D+01 -0.405326D+01
      2  -0.163268D+01  0.707523D+00 -0.322335D+01  0.331977D+01  0.277921D+01
      3   0.184844D+01 -0.212661D+01  0.331977D+01 -0.655937D+01  0.174806D+01
                56            57            58            59            60 
      1   0.277921D+01  0.174806D+01  0.209734D+01 -0.218488D+01 -0.824595D+00
      2  -0.348136D+01 -0.110843D+01 -0.218488D+01  0.402408D+01  0.165610D+01
      3  -0.110843D+01 -0.151233D+01 -0.824595D+00  0.165610D+01  0.156172D+01
                61            62            63            64            65 
      1   0.284940D+01 -0.186863D+01 -0.199060D+01 -0.148352D+02 -0.478375D+01
      2  -0.186863D+01  0.279848D+01  0.258414D+01 -0.478375D+01 -0.745362D+00
      3  -0.199060D+01  0.258414D+01  0.220245D+01  0.410693D+00  0.884406D-02
                66            67            68            69            70 
      1   0.410693D+00 -0.333480D+01 -0.433170D+01  0.114917D+00 -0.127566D+00
      2   0.884406D-02 -0.433170D+01 -0.239087D+01  0.107075D+00  0.290517D+00
      3  -0.143898D+01  0.114917D+00  0.107075D+00 -0.620212D+00 -0.381730D+01
                71            72            73            74            75 
      1   0.290517D+00 -0.381730D+01 -0.227807D+00 -0.816967D+00 -0.710271D+00
      2   0.166599D+00 -0.146534D+01 -0.816967D+00 -0.125380D+01 -0.325399D+00
      3  -0.146534D+01  0.296676D+00 -0.710271D+00 -0.325399D+00 -0.712045D-01
                76            77            78            79            80 
      1  -0.145653D+01 -0.117925D+00 -0.657316D-01 -0.842378D+00 -0.300107D+00
      2  -0.117925D+00 -0.795127D+01 -0.245763D+01 -0.300107D+00 -0.419354D+01
      3  -0.657316D-01 -0.245763D+01 -0.198732D+01  0.194924D+00 -0.278609D+01
                81            82            83            84            85 
      1   0.194924D+00  0.891489D+00 -0.127111D+00  0.109373D+01 -0.128406D+00
      2  -0.278609D+01 -0.127111D+00 -0.390589D-02 -0.261684D+00  0.577681D+00
      3  -0.181159D+01  0.109373D+01 -0.261684D+00  0.843723D+00 -0.318253D+00
                86            87            88            89            90 
      1   0.577681D+00 -0.318253D+00  0.272009D+01 -0.577286D+00  0.843508D+00
      2  -0.252136D+01  0.156774D+01 -0.577286D+00  0.275135D+01 -0.320246D+01
      3   0.156774D+01 -0.161299D+01  0.843508D+00 -0.320246D+01  0.642632D+01
                91            92            93            94            95 
      1   0.269232D+01  0.266240D+01 -0.840554D+00  0.236449D+01  0.307800D+01
      2   0.266240D+01  0.347077D+01 -0.533048D+00  0.307800D+01  0.691797D+01
      3  -0.840554D+00 -0.533048D+00  0.889317D+00 -0.562063D+00 -0.156256D+01
                96            97            98            99           100 
      1  -0.562063D+00 -0.172915D+01 -0.119435D+01  0.117001D+01  0.384124D+00
      2  -0.156256D+01 -0.119435D+01 -0.287009D+01  0.171116D+01  0.354911D+00
      3   0.119831D+01  0.117001D+01  0.171116D+01 -0.538254D+00  0.121678D+01
               101           102           103           104           105 
      1   0.354911D+00  0.121678D+01  0.105310D+00  0.835886D+00  0.100830D+00
      2   0.662056D+00  0.407012D+00  0.835886D+00  0.777440D+00  0.856589D+00
      3   0.407012D+00  0.123288D+01  0.100830D+00  0.856589D+00  0.144168D+00
               106           107           108           109           110 
      1   0.211506D+01  0.928306D-01  0.170899D+01  0.387609D+00 -0.345681D+01
      2   0.928306D-01  0.153259D+01  0.199004D+01 -0.345681D+01 -0.373500D+01
      3   0.170899D+01  0.199004D+01  0.792454D+01  0.234472D+01 -0.200045D+00
               111           112           113           114           115 
      1   0.234472D+01 -0.399755D+01 -0.521612D+01 -0.174656D+00  0.304420D+01
      2  -0.200045D+00 -0.521612D+01  0.328891D+01  0.288139D+01 -0.406736D+00
      3  -0.360695D+00 -0.174656D+00  0.288139D+01  0.955603D+00 -0.155735D+01
               116           117           118           119           120 
      1  -0.406736D+00 -0.155735D+01  0.860529D+00 -0.293511D+00 -0.117967D+01
      2   0.288176D+01  0.124161D+01 -0.293511D+00 -0.230630D+00 -0.318152D-01
      3   0.124161D+01 -0.737433D+01 -0.117967D+01 -0.318152D-01  0.380135D+00
               121           122           123           124           125 
      1  -0.400497D+00 -0.231246D+00  0.589289D-02 -0.172891D+01 -0.248283D-01
      2  -0.231246D+00  0.448388D+00 -0.897957D+00 -0.248283D-01 -0.122352D+01
      3   0.589289D-02 -0.897957D+00  0.563099D+00  0.697132D+00  0.266967D+00
               126           127           128           129           130 
      1   0.697132D+00  0.144805D+00  0.195202D+00  0.725998D+00  0.188242D+00
      2   0.266967D+00  0.195202D+00  0.220050D+00  0.304180D-02  0.849880D+00
      3  -0.102316D+02  0.725998D+00  0.304180D-02  0.849457D-01 -0.905627D-01
               131           132           133           134           135 
      1   0.849880D+00 -0.905627D-01  0.253407D+01 -0.398703D+00  0.193979D+01
      2  -0.689202D+00  0.701650D+00 -0.398703D+00  0.115508D+01 -0.888843D+00
      3   0.701650D+00 -0.512035D+00  0.193979D+01 -0.888843D+00  0.797050D+01
               136           137           138           139           140 
      1   0.741648D+01  0.269278D+01 -0.118796D+01  0.572078D+01  0.317521D+01
      2   0.269278D+01  0.228160D+01 -0.469661D+00  0.317521D+01  0.279626D+01
      3  -0.118796D+01 -0.469661D+00  0.108259D+01 -0.595935D+00 -0.914672D+00
               141           142           143           144           145 
      1  -0.595935D+00 -0.242692D+01 -0.587073D+00  0.144651D+01  0.248786D+01
      2  -0.914672D+00 -0.587073D+00 -0.119623D+01  0.597592D+00 -0.167239D+01
      3   0.971772D+00  0.144651D+01  0.597592D+00 -0.346408D+00 -0.876147D+00
               146           147           148           149           150 
      1  -0.167239D+01 -0.876147D+00 -0.325050D+01  0.377051D+01  0.748611D+00
      2   0.217499D+01  0.569528D+00  0.377051D+01 -0.679109D+01 -0.185068D+01
      3   0.569528D+00  0.581235D+00  0.748611D+00 -0.185068D+01 -0.163607D+01
               151           152           153 
      1  -0.200751D+01  0.107945D+01  0.115802D+01
      2   0.107945D+01 -0.232439D+01 -0.153518D+01
      3   0.115802D+01 -0.153518D+01 -0.748197D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.243847D+01 -0.103549D+01  0.207162D+01  0.144360D+00 -0.590774D+01
      2   0.142308D+01  0.279564D+01  0.370358D+00  0.318695D+01  0.358204D+01
      3   0.119034D+02  0.148855D+00  0.143100D+01  0.707869D+01 -0.566146D+01
                 6             7             8             9            10 
      1  -0.915735D+00  0.142613D+01  0.626910D+01  0.865890D+01  0.106594D+01
      2  -0.860882D+00 -0.657883D+01 -0.308372D+01 -0.412134D+01 -0.457055D+01
      3  -0.144023D+01  0.130586D+01 -0.285940D+01 -0.255543D+01 -0.691853D+01
                11            12            13            14            15 
      1  -0.434500D+00 -0.363169D+00 -0.224559D+01  0.563518D+00 -0.218137D+01
      2   0.126835D+01  0.234157D+01  0.339184D-01 -0.163645D+01 -0.102074D+01
      3  -0.964998D+01 -0.185150D+00 -0.325482D+01  0.421777D+01  0.297436D+01
                16            17            18            19            20 
      1   0.972936D+00  0.456134D+01  0.902754D+00  0.508983D+01 -0.255761D+01
      2  -0.547415D+01  0.605782D+00  0.113355D+02  0.246611D+01 -0.220115D+01
      3  -0.119813D+01  0.312759D+01  0.161566D+01 -0.130396D+02  0.390794D+01
                21            22            23            24            25 
      1  -0.500415D+01 -0.196853D+01  0.254665D+01 -0.720604D+00 -0.200149D+01
      2  -0.232749D+01 -0.253511D+01  0.182626D+01  0.459137D+01 -0.721226D+01
      3  -0.181726D+01  0.716238D+01  0.511053D+01  0.958322D+00 -0.184608D+01
                26            27            28            29            30 
      1   0.109218D+02 -0.587350D+01 -0.674420D+01 -0.437022D+00  0.231756D+01
      2   0.651014D+01 -0.488920D+01 -0.218655D+01 -0.186173D+01 -0.812861D+01
      3   0.264081D+01 -0.705554D+00  0.697079D+01 -0.546799D+01  0.790247D-01
                31            32            33            34            35 
      1  -0.279860D+01 -0.493341D+00  0.347788D+01 -0.535340D+01  0.241571D+02
      2  -0.931501D+00 -0.762674D+00 -0.231974D+01 -0.157001D+02  0.448320D+01
      3   0.106840D+01 -0.298356D+01 -0.242467D+00 -0.509450D+00 -0.100610D+01
                36            37            38            39            40 
      1  -0.340993D+00  0.938129D+00  0.220722D+01  0.946715D+00  0.266120D+01
      2   0.653775D+00 -0.206953D+00  0.613078D+00  0.379624D+01  0.924894D-01
      3  -0.188075D+00 -0.394638D+01  0.376236D+01 -0.854420D-01  0.975778D+01
                41            42            43            44            45 
      1   0.739888D+01  0.235634D+01 -0.504580D+01  0.822817D+01 -0.669144D+01
      2   0.383517D+00 -0.201381D+01 -0.526357D+01 -0.520774D+00 -0.296139D+00
      3   0.604362D+01 -0.195931D+01  0.130331D+01 -0.368675D+01  0.187985D+01
                46            47            48            49            50 
      1   0.107423D+01 -0.279822D+01  0.308891D+01 -0.231094D+01  0.799264D+00
      2   0.176795D+01 -0.986903D+00  0.311734D+01 -0.526088D+00  0.192841D+01
      3   0.129258D+01 -0.149906D+01 -0.795029D+00  0.209164D+01  0.479857D+00
                51            52            53            54            55 
      1  -0.338490D+01  0.342802D+01 -0.580479D+01  0.113455D+02 -0.255647D+01
      2  -0.241280D+01  0.762163D+00 -0.566043D+01  0.932625D+01 -0.217986D+01
      3  -0.932017D+00 -0.311335D+01 -0.328689D+01  0.802373D+00 -0.253369D+01
                56            57            58            59            60 
      1   0.489580D+01  0.357401D+01  0.289985D+01 -0.343951D+01 -0.415010D+01
      2   0.283857D+01  0.385372D+01  0.129926D+01 -0.334689D+01 -0.307865D+01
      3  -0.292589D+01  0.999351D+00  0.325034D+01  0.112640D+01  0.222859D+00
                61            62            63            64            65 
      1   0.397934D+01 -0.440956D+01 -0.474856D+01  0.366371D+01 -0.221459D+00
      2   0.169524D+01 -0.446170D+01 -0.388844D+01  0.514029D+00  0.235845D+00
      3   0.299096D+01  0.183673D+01  0.201871D+00  0.109748D+01 -0.126907D+02
                66            67            68            69            70 
      1  -0.327126D+01  0.849940D+00  0.822580D+00 -0.341126D+01  0.196191D+01
      2   0.129446D+02  0.889580D+00  0.530827D+00  0.441907D+01  0.553158D+01
      3   0.265180D+00 -0.162182D+01 -0.685645D+01  0.310644D+00  0.143896D+01
                71            72            73            74            75 
      1  -0.543137D+01  0.556128D+00  0.899471D+00 -0.104261D+01 -0.409855D+00
      2  -0.509595D+00 -0.639502D+00  0.114720D+01 -0.574719D+00  0.640147D+00
      3   0.117692D+01 -0.869770D+00  0.556312D+00 -0.214890D+01  0.341631D+00
                76            77            78            79            80 
      1   0.177695D+01 -0.622266D+01 -0.583046D+01  0.882594D+00 -0.450248D+01
      2   0.137474D+00 -0.751800D+00  0.220419D+00 -0.159648D+01 -0.216356D+00
      3   0.471328D+01 -0.448881D+00  0.134134D+00  0.253510D+01  0.308517D+00
                81            82            83            84            85 
      1  -0.404700D+01 -0.485869D+00  0.181336D+00  0.316738D+00 -0.185727D+00
      2   0.299121D-01 -0.234666D+01  0.135870D+00  0.682302D+00  0.263183D-01
      3  -0.481749D+00 -0.166956D+01 -0.202880D+01 -0.500050D+00  0.119607D+01
                86            87            88            89            90 
      1   0.240528D+01 -0.415369D+01  0.416347D+01 -0.497871D+01  0.113250D+02
      2  -0.573163D-01  0.365964D+00 -0.176501D+01 -0.531950D+00 -0.398499D+00
      3  -0.944147D+00  0.712129D+00 -0.431519D+01  0.124246D+01 -0.174303D+01
                91            92            93            94            95 
      1   0.118848D+01  0.822031D+00 -0.230621D+01  0.109591D+01  0.261725D+01
      2  -0.114733D+01 -0.141865D+01  0.195586D+01 -0.115496D+01 -0.258283D+01
      3   0.321461D+01 -0.660062D+00 -0.922389D+00  0.486807D+01 -0.108862D+01
                96            97            98            99           100 
      1  -0.408135D+01 -0.157868D+01 -0.127475D+01  0.151782D+01 -0.128746D+01
      2   0.219865D+01  0.314897D+00  0.213097D+01 -0.139891D+01  0.669008D-02
      3   0.157572D+00 -0.281748D+01  0.143190D+01  0.606502D+00  0.638189D-01
               101           102           103           104           105 
      1   0.890892D+00 -0.192461D+01 -0.785919D-01 -0.929888D+00 -0.149772D+01
      2   0.148425D-01  0.164408D+01 -0.146929D+00 -0.229622D+00 -0.721713D-01
      3  -0.164272D+01  0.147106D+01  0.256456D+00  0.102755D+01 -0.283999D+00
               106           107           108           109           110 
      1  -0.265130D+01  0.628904D+00 -0.117199D+02 -0.485891D+00 -0.139949D+01
      2  -0.261080D+01  0.141829D+01  0.490509D+01  0.968340D+01 -0.412726D+00
      3   0.382347D+01 -0.163498D+01  0.161260D+01  0.107228D+02  0.117875D+02
               111           112           113           114           115 
      1  -0.268969D-01 -0.160095D+01  0.262896D+01 -0.885101D-01 -0.207966D+01
      2  -0.601319D+00 -0.128815D+00  0.906170D+01  0.249353D+01 -0.852566D+01
      3  -0.888216D+00  0.224677D+02 -0.783226D+01 -0.849395D+01 -0.282137D+00
               116           117           118           119           120 
      1   0.301899D+01 -0.349497D+01  0.107897D+00  0.371025D+00  0.347169D+00
      2   0.385748D+01 -0.189706D+02 -0.510715D+00 -0.530104D+00  0.133451D+01
      3  -0.861868D+01 -0.278973D+01  0.106324D+01 -0.477989D+00  0.198957D+00
               121           122           123           124           125 
      1   0.739857D+00 -0.674907D+00 -0.352531D+00 -0.217732D+00  0.361717D+01
      2   0.202710D+00 -0.128971D+01  0.454081D+00 -0.374382D+01  0.469864D+00
      3   0.239134D+01 -0.974985D+00  0.136469D+01 -0.123156D+00  0.191890D+01
               126           127           128           129           130 
      1  -0.103578D+01  0.585311D+00  0.196264D-01  0.280057D+00  0.541909D-01
      2  -0.109284D+02  0.214007D+01 -0.213928D+00  0.190326D+01 -0.929600D-01
      3  -0.458651D+00 -0.465990D+00 -0.150845D+01 -0.269523D+00 -0.109147D+01
               131           132           133           134           135 
      1   0.341160D-01 -0.109196D+01  0.764117D+00  0.300265D+01  0.426739D+01
      2   0.144292D+01 -0.164924D+01  0.952506D+00 -0.223566D+01  0.223379D+02
      3   0.126820D+01 -0.148331D+01 -0.486440D+00 -0.348531D+01  0.164998D+01
               136           137           138           139           140 
      1   0.157367D+00 -0.785816D-02 -0.659868D+00  0.178831D-01 -0.461442D+00
      2  -0.341928D+01 -0.170155D+01  0.508337D+01 -0.188373D+01 -0.288381D+01
      3  -0.111701D+02 -0.108716D+02  0.212045D+01 -0.945788D+01 -0.108333D+02
               141           142           143           144           145 
      1  -0.136393D+01  0.435234D+00  0.115256D+01  0.184453D+00 -0.772004D+00
      2   0.434639D+01  0.289811D+01  0.174919D+01 -0.114137D+01 -0.237190D+01
      3   0.312036D+01  0.245599D+01  0.425965D+01 -0.203419D+01  0.292726D+01
               146           147           148           149           150 
      1   0.546327D+00  0.102323D+01  0.740043D+00 -0.141146D+01 -0.386459D+01
      2   0.172372D+01  0.264457D+01  0.153139D+01 -0.521456D+01 -0.566143D+01
      3  -0.696455D+01 -0.116822D+01 -0.600024D+01  0.182810D+02  0.509062D+01
               151           152           153 
      1   0.845897D+00 -0.226154D+00 -0.108116D+01
      2   0.144028D+01 -0.393593D+01 -0.212641D+01
      3  -0.116224D+01  0.663465D+01  0.345733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.343411D+01  0.620027D+01  0.210828D+01  0.400937D+01 -0.439443D+01
      2  -0.283306D+01 -0.135824D+02  0.181199D+01 -0.123269D+02 -0.534679D+01
      3  -0.601052D+00  0.738214D+01 -0.392027D+01  0.831756D+01  0.974123D+01
      4  -0.968363D+00 -0.121264D+02  0.219647D+01 -0.117203D+02 -0.127818D+02
      5   0.308402D+01  0.377163D+01 -0.328041D+01  0.348496D+01  0.455464D+01
      6   0.403627D+01  0.200941D+01 -0.535420D+01  0.310197D+01  0.122057D+02
                 6             7             8             9            10 
      1  -0.324964D+01  0.313833D+01 -0.304094D+01  0.650540D+01 -0.152652D+02
      2   0.880739D+01  0.387043D+01  0.111621D+02  0.223808D+01  0.579769D+01
      3  -0.555776D+01 -0.700876D+01 -0.812118D+01 -0.874348D+01  0.946755D+01
      4   0.480541D+01  0.226273D+01  0.881282D+01 -0.104722D+02  0.868046D+01
      5  -0.200961D+01 -0.318777D+01 -0.538694D+01 -0.109920D+02 -0.831392D+01
      6  -0.128909D+01 -0.744048D+01 -0.469696D+01 -0.166482D+02 -0.156204D+00
                11            12            13            14            15 
      1   0.660166D+01 -0.415459D+01  0.111644D+02  0.119757D+02  0.187970D+01
      2  -0.494315D+00  0.231846D+01 -0.426108D+01 -0.546942D+01 -0.215233D+01
      3  -0.610735D+01  0.183613D+01 -0.690331D+01 -0.650632D+01  0.272628D+00
      4   0.165510D+01  0.163904D+01  0.964374D+01 -0.490322D+01 -0.212182D+01
      5   0.214578D+01 -0.226510D+01  0.105751D+01 -0.256474D+01 -0.163976D+01
      6  -0.566533D+00  0.115580D+01 -0.145699D+01 -0.718978D+00  0.802973D+00
                16            17            18            19            20 
      1  -0.101324D+02  0.229019D+01  0.879812D+01 -0.490812D+00 -0.405782D+01
      2   0.276094D+01 -0.318241D+01  0.976558D+01 -0.174890D+01  0.878860D+01
      3   0.737145D+01  0.892220D+00 -0.185637D+02  0.223971D+01 -0.473079D+01
      4   0.585788D+00 -0.357136D+01 -0.147222D+01  0.634502D+01 -0.160644D+02
      5   0.421408D+01 -0.142252D+01  0.255213D+02  0.312708D+01 -0.552505D+01
      6  -0.300926D+00  0.555436D+01 -0.597957D+00 -0.546499D+01  0.370296D+01
                21            22            23            24            25 
      1   0.239048D+01  0.416483D+01 -0.599862D+01 -0.112993D+01 -0.620268D-02
      2   0.264926D+01  0.451749D+00  0.121292D+02 -0.307024D+01  0.347605D+01
      3  -0.503974D+01 -0.461658D+01 -0.613061D+01  0.420017D+01 -0.346985D+01
      4  -0.404168D+01 -0.148423D+01  0.877302D+01  0.197454D+01 -0.621895D+01
      5  -0.785092D+01 -0.495892D+01  0.259010D+01  0.833592D+01 -0.812502D+01
      6   0.876974D+01  0.417441D+01 -0.471339D+01 -0.553770D+01  0.100733D+02
                26            27            28            29            30 
      1  -0.558636D+01  0.822282D+01 -0.448753D+02 -0.893617D+01 -0.121302D+00
      2  -0.326686D+01 -0.436426D+01  0.243075D+02 -0.420681D+00 -0.223161D+00
      3   0.885322D+01 -0.385856D+01  0.205678D+02  0.935686D+01  0.344462D+00
      4  -0.497672D+00  0.179369D+02 -0.266584D+02 -0.129197D+02  0.125785D+01
      5   0.130658D+02 -0.744616D+01  0.204878D+01  0.153938D+01 -0.116295D+02
      6  -0.168817D+02  0.130609D+02 -0.126936D+01 -0.740420D+00 -0.408284D+01
                31            32            33            34            35 
      1  -0.183407D+02 -0.654620D+00 -0.980168D-01  0.980642D+00  0.790050D+00
      2   0.118215D+02 -0.433264D+01 -0.362549D+00 -0.135036D+01  0.977986D+00
      3   0.651921D+01  0.498726D+01  0.460566D+00  0.369714D+00 -0.176804D+01
      4  -0.649385D+01  0.142647D+00  0.137629D+00  0.222126D+01  0.100787D+01
      5   0.210254D+01 -0.253194D+00 -0.341176D+01  0.348863D+01 -0.154941D+01
      6  -0.171963D+01  0.247429D+01 -0.303753D+01 -0.145632D+01  0.566507D+01
                36            37            38            39            40 
      1  -0.992114D+01  0.348438D+01  0.121313D+00  0.248709D+01 -0.125570D+02
      2  -0.162801D+01  0.185711D+01 -0.341503D+01 -0.251760D+01  0.601058D+01
      3   0.115491D+02 -0.534149D+01  0.329371D+01  0.305184D-01  0.654645D+01
      4  -0.382963D+01 -0.413160D+00  0.404937D+01 -0.441639D+00 -0.174440D+01
      5   0.187012D+01  0.308791D+00 -0.815074D+00  0.223619D+01 -0.250895D+00
      6  -0.981362D+00  0.183922D+01 -0.297686D+01  0.394607D+00 -0.149569D+01
                41            42            43            44            45 
      1   0.974704D+01  0.110730D+01  0.105477D+02 -0.131423D+01  0.150414D+02
      2  -0.117663D+02 -0.642042D+01 -0.513352D+01 -0.526096D+01 -0.927629D+01
      3   0.201927D+01  0.531312D+01 -0.541418D+01  0.657520D+01 -0.576507D+01
      4  -0.631195D+01 -0.136341D+01  0.290182D+01 -0.151569D+01  0.385048D+01
      5  -0.142716D+01 -0.174131D+01 -0.309526D+01  0.190192D+01 -0.429624D+01
      6  -0.122207D+02 -0.919515D+01  0.582656D+01 -0.168323D+02  0.116808D+02
                46            47            48            49            50 
      1   0.903979D+00  0.174793D+00  0.136335D+01  0.120276D+01 -0.770966D+01
      2  -0.114821D+01 -0.168558D+01 -0.189002D+01 -0.259769D+01  0.813884D+01
      3   0.244232D+00  0.151079D+01  0.526664D+00  0.139493D+01 -0.429180D+00
      4  -0.669623D+01  0.999355D+01 -0.566248D+01  0.523930D+01 -0.842753D+01
      5   0.612374D+01 -0.346528D+01  0.859185D+01 -0.101489D+01  0.423862D+01
      6  -0.484940D+01  0.348621D+01 -0.469267D+01  0.322587D+01 -0.795598D+01
                51            52            53            54            55 
      1   0.517853D+01  0.211345D+01  0.992055D+01 -0.129866D+02  0.838444D+01
      2  -0.446567D+01 -0.339964D+01 -0.559404D+01 -0.208965D+01  0.251264D+00
      3  -0.712854D+00  0.128619D+01 -0.432651D+01  0.150763D+02 -0.863571D+01
      4   0.534524D+01 -0.766921D+01  0.107322D+02 -0.137156D+02 -0.182410D+02
      5  -0.430740D+01  0.948617D+01 -0.100914D+02  0.181453D+02 -0.913951D+01
      6   0.104325D+02 -0.774311D+01  0.172992D+02 -0.240195D+02  0.717223D+01
                56            57            58            59            60 
      1  -0.912436D+00 -0.243483D+01  0.127265D+01 -0.772639D+01 -0.231760D+01
      2  -0.630884D+01 -0.221040D+00 -0.673079D+01  0.153542D+02  0.528784D+01
      3   0.722128D+01  0.265587D+01  0.545814D+01 -0.762782D+01 -0.297024D+01
      4   0.202706D+02  0.792842D+01  0.130805D+02 -0.177857D+02 -0.697683D+01
      5   0.625680D+01  0.834671D+01  0.431916D+01 -0.680974D+01 -0.565677D+01
      6  -0.656141D+01 -0.627188D+01 -0.538487D+01  0.948871D+01  0.886867D+01
                61            62            63            64            65 
      1  -0.251942D+01 -0.365441D+01 -0.442403D+01  0.908492D+02  0.172199D+02
      2  -0.596287D-01  0.706877D+01  0.224464D+01 -0.490949D+02 -0.438283D+01
      3   0.257905D+01 -0.341436D+01  0.217939D+01 -0.417544D+02 -0.128371D+02
      4   0.112435D+02 -0.116450D+02 -0.115300D+02  0.397707D+02  0.274173D+02
      5   0.962371D+01 -0.968402D+01 -0.934165D+01 -0.339471D+01 -0.120637D+01
      6  -0.820726D+01  0.135192D+02  0.100162D+02  0.154674D+01  0.543835D+00
                66            67            68            69            70 
      1  -0.142861D+01  0.181643D+02  0.112692D+02  0.170090D+00 -0.210675D+01
      2   0.131713D+01 -0.597037D+01  0.514760D+00 -0.328300D+00  0.224471D+01
      3   0.111488D+00 -0.121939D+02 -0.117840D+02  0.158210D+00 -0.137964D+00
      4  -0.585867D+00  0.295915D+02  0.209167D+02 -0.284532D+00 -0.671877D+00
      5   0.219126D+02 -0.107033D+01 -0.585399D+00  0.703556D+01  0.256531D+02
      6   0.569254D+01  0.715406D+00 -0.105271D+01  0.616036D+01  0.591367D+01
                71            72            73            74            75 
      1   0.254975D-01  0.131003D+02  0.550090D+00 -0.207970D+01 -0.842791D+00
      2  -0.853371D-01 -0.106021D+02  0.124944D+01  0.370211D+01  0.744002D+00
      3   0.598397D-01 -0.249825D+01 -0.179953D+01 -0.162241D+01  0.987895D-01
      4  -0.311298D+00  0.921679D+01  0.188611D+01  0.968704D+01  0.262415D+01
      5   0.766638D+01 -0.247115D+01  0.742265D+00  0.168478D+01  0.269099D+01
      6   0.724402D+01 -0.855336D-02  0.246033D+01  0.163017D+01  0.516737D+00
                76            77            78            79            80 
      1   0.203607D+01 -0.249097D+02 -0.757520D+01 -0.116270D+01 -0.105465D+02
      2  -0.836652D+00  0.355780D+02  0.983712D+01  0.724088D+00  0.120015D+02
      3  -0.119942D+01 -0.106682D+02 -0.226193D+01  0.438608D+00 -0.145502D+01
      4   0.564042D+01  0.184448D+01  0.953688D+00  0.352898D+01  0.126104D+01
      5   0.136238D+01  0.136180D+01  0.724571D+00  0.224120D+01  0.792344D+00
      6   0.211795D+00  0.164059D+02  0.115529D+02 -0.104079D+01  0.155640D+02
                81            82            83            84            85 
      1  -0.104102D+02 -0.539415D+00 -0.385113D+00 -0.670001D+00  0.257797D+01
      2   0.704115D+01 -0.132589D+01 -0.938790D-01  0.229183D+00 -0.254622D+01
      3   0.336903D+01  0.186531D+01  0.478992D+00  0.440818D+00 -0.317452D-01
      4   0.116421D+00 -0.295514D+01  0.380130D+01 -0.356540D+01  0.233022D+01
      5   0.117918D+01  0.729026D+00 -0.205312D+01  0.475811D+01 -0.781634D+00
      6   0.102643D+02 -0.319879D+01  0.744165D+00 -0.158590D+01  0.113177D+01
                86            87            88            89            90 
      1  -0.109930D+02  0.578966D+01 -0.309989D+01  0.115290D+02 -0.189249D+02
      2   0.105166D+02 -0.422602D+01  0.270884D+00 -0.632469D+01  0.163912D+01
      3   0.476432D+00 -0.156364D+01  0.282901D+01 -0.520434D+01  0.172858D+02
      4  -0.185753D+01  0.928138D+00 -0.557696D+01  0.124462D+01 -0.239484D+01
      5   0.100542D+01  0.674158D-02  0.439408D+01 -0.142185D+01  0.201142D+01
      6  -0.713588D+01  0.986818D+01 -0.448715D+01  0.154149D+02 -0.215357D+02
                91            92            93            94            95 
      1   0.141353D+01 -0.298609D+01 -0.466507D+00 -0.335702D+01 -0.153562D+02
      2   0.628046D+01  0.116545D+02 -0.162766D+01  0.113076D+02  0.330813D+02
      3  -0.769399D+01 -0.866846D+01  0.209417D+01 -0.795063D+01 -0.177251D+02
      4   0.136968D+02  0.176741D+02 -0.402251D+01  0.162434D+02  0.229442D+02
      5  -0.361003D+01 -0.254187D+01  0.361378D+01 -0.231028D+01 -0.422312D+01
      6  -0.397320D+01 -0.354908D+01  0.383198D+01 -0.345606D+01 -0.930223D+01
                96            97            98            99           100 
      1   0.320939D+01 -0.583702D+00  0.578707D+01 -0.450290D+01  0.312958D+00
      2  -0.674826D+01 -0.218774D+01 -0.104625D+02  0.394023D+01 -0.241309D+01
      3   0.353887D+01  0.277145D+01  0.467544D+01  0.562663D+00  0.210013D+01
      4  -0.507802D+01 -0.701501D+01 -0.904892D+01  0.640766D+01  0.267582D+01
      5   0.304347D+01  0.428229D+01  0.463801D+01 -0.288275D+01  0.410759D+01
      6   0.746592D+01  0.549887D+01  0.995724D+01 -0.506790D+01  0.306032D+01
               101           102           103           104           105 
      1  -0.937900D+00  0.421670D+00 -0.201393D+01 -0.331052D+01 -0.290386D+01
      2   0.217917D+01 -0.226104D+01  0.316926D+01  0.291461D+01  0.249135D+01
      3  -0.124127D+01  0.183937D+01 -0.115533D+01  0.395904D+00  0.412503D+00
      4   0.480837D+01  0.341000D+01  0.309806D+01  0.330905D+01  0.157795D+01
      5   0.129282D+01  0.786751D+01 -0.383228D+00  0.128955D+01 -0.116566D+00
      6   0.155306D+01  0.319258D+01  0.104469D+01  0.305012D+01  0.631944D+01
               106           107           108           109           110 
      1   0.370585D+00 -0.604420D+01 -0.153204D+02  0.100116D+01 -0.207623D+02
      2  -0.356520D+01  0.314406D+01 -0.785503D+01 -0.193830D+01  0.141650D+02
      3   0.319461D+01  0.290014D+01  0.231754D+02  0.937140D+00  0.659725D+01
      4   0.514103D+01  0.384506D+01  0.767690D+01 -0.221368D+02 -0.210128D+02
      5   0.694174D+01  0.377493D+01  0.130429D+02  0.179710D+02 -0.139518D+01
      6   0.577993D+01  0.990824D+01  0.230325D+02 -0.221928D+01  0.310609D+01
               111           112           113           114           115 
      1   0.123126D+02 -0.286404D+02 -0.209059D+02  0.214859D+01  0.167946D+02
      2  -0.483089D+01  0.203186D+02  0.301636D+01 -0.526318D+01 -0.417118D+01
      3  -0.748171D+01  0.832172D+01  0.178895D+02  0.311459D+01 -0.126234D+02
      4  -0.144671D+01 -0.311809D+02  0.183087D+02  0.162873D+02 -0.173324D+01
      5  -0.279948D+01 -0.120364D+01  0.175592D+02  0.451849D+01 -0.774834D+01
      6   0.332801D+00  0.394684D+01 -0.546962D+01 -0.247485D+01  0.192090D+01
               116           117           118           119           120 
      1   0.127885D+01  0.156891D+01  0.383495D+01 -0.115790D+01 -0.273213D+01
      2  -0.525855D+01  0.552092D+01 -0.565580D+01  0.430016D+00  0.135976D+01
      3   0.397970D+01 -0.708983D+01  0.182085D+01  0.727886D+00  0.137237D+01
      4   0.164296D+02  0.578808D+01 -0.110469D+01  0.191738D+01 -0.154876D+00
      5   0.610512D+01 -0.340295D+02 -0.239891D+01 -0.549294D+00  0.860972D+01
      6  -0.343486D+01  0.728898D+01 -0.242516D+00 -0.162657D+00 -0.379972D-01
               121           122           123           124           125 
      1  -0.512725D+00 -0.505912D+01  0.842298D+00 -0.408274D+01  0.136480D+01
      2  -0.125427D+00  0.722599D+00  0.616928D+00  0.475214D+01 -0.995958D-01
      3   0.638152D+00  0.433652D+01 -0.145923D+01 -0.669393D+00 -0.126521D+01
      4   0.169890D+01  0.107786D+01 -0.192124D+01  0.104134D+01 -0.219051D+01
      5  -0.563382D+00 -0.249783D+01  0.135163D+01  0.655775D+01  0.666058D+00
      6  -0.401768D+00 -0.401472D+00  0.819422D+01 -0.896062D-01  0.404407D+01
               126           127           128           129           130 
      1  -0.198602D+02  0.254571D+01  0.126357D+01  0.472058D+01  0.209855D+01
      2  -0.185300D+02 -0.321753D+01 -0.816116D+00 -0.314437D+01 -0.183259D+01
      3   0.383902D+02  0.671815D+00 -0.447454D+00 -0.157621D+01 -0.265968D+00
      4   0.140371D+01  0.106531D+01  0.308744D+01 -0.126211D+01  0.629411D+01
      5  -0.230546D+02  0.376575D+01 -0.651972D+00  0.700150D+01 -0.577505D+00
      6   0.930294D-01 -0.102850D+01 -0.693775D+00 -0.562726D+00  0.775914D+00
               131           132           133           134           135 
      1   0.108611D+01  0.601348D+00  0.112319D+02  0.125471D+00 -0.519396D+01
      2  -0.211413D+00 -0.179538D+00 -0.939839D+01  0.221122D+00 -0.135799D+02
      3  -0.874697D+00 -0.421810D+00 -0.183355D+01 -0.346593D+00  0.187739D+02
      4  -0.383421D+01  0.304600D+01 -0.373169D+01  0.608136D+01 -0.431586D+01
      5   0.284715D+01 -0.307436D+01  0.148458D+02 -0.469399D+01  0.420904D+02
      6  -0.118926D+01  0.566706D+01 -0.228414D+01  0.584996D+01 -0.960900D+01
               136           137           138           139           140 
      1   0.493866D+02  0.185927D+02 -0.784135D+01  0.318477D+02  0.155214D+02
      2  -0.259570D+02 -0.101774D+02  0.446465D+01 -0.161015D+02 -0.467505D+01
      3  -0.234296D+02 -0.841531D+01  0.337670D+01 -0.157462D+02 -0.108464D+02
      4   0.178414D+02  0.173171D+02 -0.316337D+01  0.225184D+02  0.190984D+02
      5  -0.886539D+01 -0.342788D+01  0.920878D+01 -0.494462D+01 -0.584022D+01
      6  -0.295487D+00 -0.104131D-01  0.172353D+00 -0.818267D+00 -0.382980D+00
               141           142           143           144           145 
      1  -0.378417D+01 -0.129972D+02 -0.320035D+01  0.594894D+01  0.147448D+02
      2   0.252467D+01  0.756373D+01  0.263312D+01 -0.535762D+01 -0.424841D+01
      3   0.125949D+01  0.543348D+01  0.567234D+00 -0.591320D+00 -0.104964D+02
      4  -0.581631D+01 -0.414836D+01 -0.721100D+01  0.401324D+01 -0.129242D+02
      5   0.750093D+01  0.117418D+02  0.464768D+01 -0.382798D+01 -0.586711D+01
      6   0.214125D+01  0.141363D+01  0.274148D+01 -0.195697D+01  0.258261D+01
               146           147           148           149           150 
      1  -0.814065D+01 -0.455403D+01 -0.130259D+02  0.551057D+01  0.498530D+00
      2   0.548538D+00  0.154240D+01  0.680149D-01  0.136514D+02  0.291713D+01
      3   0.759211D+01  0.301163D+01  0.129579D+02 -0.191620D+02 -0.341566D+01
      4   0.183068D+02  0.474016D+01  0.270015D+02 -0.406494D+02 -0.110753D+02
      5   0.438936D+01  0.549747D+01  0.573278D+01 -0.112451D+02 -0.105598D+02
      6  -0.151477D+01 -0.147091D+01 -0.317698D+01  0.636789D+01  0.657063D+01
               151           152           153 
      1  -0.876518D+01  0.642524D+00  0.685249D+00
      2   0.332374D+01  0.269329D+01 -0.780076D+00
      3   0.544144D+01 -0.333581D+01  0.948272D-01
      4   0.783888D+01 -0.134232D+02 -0.867975D+01
      5   0.844236D+01 -0.914446D+01 -0.510005D+01
      6  -0.351348D+01  0.694626D+01  0.443787D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.116988D+01      0.297354D+01      0.991865D+01
   y          0.447327D+00      0.113699D+01      0.379260D+01
   z         -0.797473D-01     -0.202697D+00     -0.676126D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.820999D+02      0.121659D+02      0.135364D+02
   yx        -0.197655D+00     -0.292895D-01     -0.325889D-01
   yy         0.714870D+02      0.105933D+02      0.117866D+02
   zx         0.218277D+00      0.323453D-01      0.359890D-01
   zy        -0.409232D+00     -0.606419D-01     -0.674732D-01
   zz         0.584646D+02      0.866355D+01      0.963950D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.767094D+02      0.113672D+02      0.126477D+02
   aniso      0.236910D+02      0.351064D+01      0.390611D+01
   xx         0.897563D+02      0.133005D+02      0.147988D+02
   yx        -0.136384D+00     -0.202100D-01     -0.224867D-01
   yy         0.778622D+02      0.115380D+02      0.128377D+02
   zx         0.418424D+00      0.620040D-01      0.689888D-01
   zy        -0.550555D+00     -0.815839D-01     -0.907743D-01
   zz         0.625098D+02      0.926299D+01      0.103065D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.07672834          1.57418556          1.82045665
     6          0.85782536         -0.60445233          1.88289168
     6         -0.82951146          2.68637749         -0.83724603
     6         -0.03734411          0.46082802         -2.49496395
     6          0.65280731         -1.74334559         -0.77375511
     1          0.69430021          4.08359179         -0.92942323
     1         -2.52308751          3.58878178         -1.58320327
     8          0.03084971          0.45457363         -4.76872348
     1          2.33496657         -2.71940700         -1.45007782
     1         -0.91586683         -3.09600251         -0.85827625
     1         -0.75526009          2.95042638          3.31939032
     1         -2.97577969          0.80081344          2.09156224
     6          0.45362206         -2.47435882          4.02665890
     1          2.74314012          0.23178300          2.07673504
     1         -1.40925412         -3.35575470          3.88178154
     1          0.56905560         -1.53916833          5.86303876
     1          1.86695971         -3.97707855          3.99398833

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.125502D+01      0.318995D+01      0.106405D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.599368D+02      0.888172D+01      0.988225D+01
   yx        -0.429091D+01     -0.635847D+00     -0.707475D+00
   yy         0.715971D+02      0.106096D+02      0.118048D+02
   zx        -0.615036D-01     -0.911389D-02     -0.101406D-01
   zy        -0.393226D+01     -0.582701D+00     -0.648343D+00
   zz         0.805175D+02      0.119315D+02      0.132755D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.767094D+02      0.113672D+02      0.126477D+02
   aniso      0.236910D+02      0.351064D+01      0.390611D+01
   xx         0.641706D+02      0.950910D+01      0.105803D+02
   yx        -0.492926D+01     -0.730441D+00     -0.812725D+00
   yy         0.779377D+02      0.115492D+02      0.128502D+02
   zx        -0.263127D+00     -0.389914D-01     -0.433838D-01
   zy        -0.440343D+01     -0.652521D+00     -0.726028D+00
   zz         0.880200D+02      0.130432D+02      0.145125D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-36\Freq\RB3LYP\Gen\C6H10O1\PIERPA\08-Jul-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
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 8549,-1.2340793,-0.2636279,0.0237311,-0.2695388,-0.6145522,0.018296,0.
 0316966,0.0128168,-0.3446747,0.0208998,-0.0229129,-0.0022948,-0.033217
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 8718,-0.02122,-0.0016626,0.0589239,0.0094167,0.0125786,0.0579104,-0.07
 73814,-0.023713,-0.0876892,0.0256989,-0.0782634,-0.0918278,0.0367232,0
 .0516869,0.0782119,0.0282758,0.0023022,-0.0029692,-0.0403157,0.0097686
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 5024,0.0038438,0.0427184,0.000723,0.1007221,-0.1084341,-0.063889,0.017
 9449,-0.0754897,0.0323243\Polar=82.0998664,-0.1976552,71.4869908,0.218
 2772,-0.4092319,58.4645547\Quadrupole=-5.3456063,2.2459694,3.0996369,-
 2.6761427,0.0520629,0.0020782\PG=C01 [X(C6H10O1)]\NImag=0\\0.46367072,
 0.08750374,0.52009505,0.00459442,-0.04478468,0.57018403,-0.07917739,0.
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 I DON'T EXACTLY UNDERSTAND WHAT YOU ARE SAYING,
 BUT YOU ARE ABSOLUTELY RIGHT.
     M.S.GORDON, IN A NDSU FACULTY MEETING
 Job cpu time:       0 days  2 hours  4 minutes 44.2 seconds.
 Elapsed time:       0 days  0 hours  7 minutes 49.3 seconds.
 File lengths (MBytes):  RWF=    222 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:17:33 2021.
